PubChemLite - Bdbm1948 (C25H33N7O2)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=CC=C1)N(C)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC

InChI

InChI=1S/C25H33N7O2/c1-16(2)28-21-6-5-11-27-23(21)31(4)19-9-12-32(13-10-19)24(33)22-15-17-14-18(29-25(34)26-3)7-8-20(17)30-22/h5-8,11,14-16,19,28,30H,9-10,12-13H2,1-4H3,(H2,26,29,34)

InChIKey

DZDZUVKYVPSQCK-UHFFFAOYSA-N

Compound name

1-methyl-3-[2-[4-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]urea

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]+	464.27684	209.4
[M+Na]+	486.25878	210.6
[M-H]-	462.26228	215.8
[M+NH4]+	481.30338	214.6
[M+K]+	502.23272	206.4
[M+H-H2O]+	446.26682	197.8
[M+HCOO]-	508.26776	226.0
[M+CH3COO]-	522.28341	246.7
[M+Na-2H]-	484.24423	209.2
[M]+	463.26901	206.0
[M]-	463.27011	206.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.27684

209.4

[M+Na]+

486.25878

210.6

[M-H]-

462.26228

215.8

[M+NH4]+

481.30338

214.6

[M+K]+

502.23272

206.4

[M+H-H2O]+

446.26682

197.8

[M+HCOO]-

508.26776

226.0

[M+CH3COO]-

522.28341

246.7

[M+Na-2H]-

484.24423

209.2

[M]+

463.26901

206.0

[M]-

463.27011

206.0

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

Bdbm1948

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe