PubChemLite - 1357470-29-1 (C24H27N7O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N

InChI

InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)

InChIKey

VADOZMZXXRBXNY-UHFFFAOYSA-N

Compound name

8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-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]+	430.23500	211.2
[M+Na]+	452.21694	224.2
[M+NH4]+	447.26154	213.7
[M+K]+	468.19088	214.4
[M-H]-	428.22044	209.3
[M+Na-2H]-	450.20239	214.8
[M]+	429.22717	211.6
[M]-	429.22827	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.23500

211.2

[M+Na]+

452.21694

224.2

[M+NH4]+

447.26154

213.7

[M+K]+

468.19088

214.4

[M-H]-

428.22044

209.3

[M+Na-2H]-

450.20239

214.8

[M]+

429.22717

211.6

[M]-

429.22827

211.6

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

1357470-29-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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