PubChemLite - 2043019-99-2 (C29H42N8O2)

Structural Information

Molecular Formula

SMILES

CCC1=C(N=C(C(=N1)C#N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5

InChI

InChI=1S/C29H42N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(25(20-30)33-24)32-22-5-6-26(27(19-22)38-3)37-11-7-23(8-12-37)36-15-13-35(2)14-16-36/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,31,32,34)

InChIKey

KUHUZLRNPPPIQA-UHFFFAOYSA-N

Compound name

6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carbonitrile

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]+	535.35038	224.2
[M+Na]+	557.33232	225.4
[M-H]-	533.33582	226.5
[M+NH4]+	552.37692	218.6
[M+K]+	573.30626	216.8
[M+H-H2O]+	517.34036	201.0
[M+HCOO]-	579.34130	225.7
[M+CH3COO]-	593.35695	224.1
[M+Na-2H]-	555.31777	219.6
[M]+	534.34255	209.7
[M]-	534.34365	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.35038

224.2

[M+Na]+

557.33232

225.4

[M-H]-

533.33582

226.5

[M+NH4]+

552.37692

218.6

[M+K]+

573.30626

216.8

[M+H-H2O]+

517.34036

201.0

[M+HCOO]-

579.34130

225.7

[M+CH3COO]-

593.35695

224.1

[M+Na-2H]-

555.31777

219.6

[M]+

534.34255

209.7

[M]-

534.34365

209.7

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

2043019-99-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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