PubChemLite - 1-[[5-[[(4-methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[n-ethyl-n-[3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine (C30H42N8O2)

Structural Information

Molecular Formula

SMILES

CCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NC(=O)N4CCN(CC4)C)C5=C(C=CC=N5)NC(C)C

InChI

InChI=1S/C30H42N8O2/c1-5-38(28-26(32-21(2)3)7-6-12-31-28)24-10-13-36(14-11-24)29(39)27-20-22-19-23(8-9-25(22)34-27)33-30(40)37-17-15-35(4)16-18-37/h6-9,12,19-21,24,32,34H,5,10-11,13-18H2,1-4H3,(H,33,40)

InChIKey

BWFUDYUEKKDPNU-UHFFFAOYSA-N

Compound name

N-[2-[4-[ethyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methylpiperazine-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	547.35038	229.6
[M+Na]+	569.33232	228.4
[M-H]-	545.33582	235.2
[M+NH4]+	564.37692	228.2
[M+K]+	585.30626	222.5
[M+H-H2O]+	529.34036	215.6
[M+HCOO]-	591.34130	237.5
[M+CH3COO]-	605.35695	231.7
[M+Na-2H]-	567.31777	225.4
[M]+	546.34255	223.0
[M]-	546.34365	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.35038

229.6

[M+Na]+

569.33232

228.4

[M-H]-

545.33582

235.2

[M+NH4]+

564.37692

228.2

[M+K]+

585.30626

222.5

[M+H-H2O]+

529.34036

215.6

[M+HCOO]-

591.34130

237.5

[M+CH3COO]-

605.35695

231.7

[M+Na-2H]-

567.31777

225.4

[M]+

546.34255

223.0

[M]-

546.34365

223.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-[[5-[[(4-methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[n-ethyl-n-[3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe