PubChemLite - 2-(5-chloro-2-fluoro-phenyl)-n7-(2-dimethylaminoethyl)-n4-(3-fluoro-4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine (C22H20ClF2N7)

Structural Information

Molecular Formula

SMILES

CN(C)CCNC1=NC2=C(C=C1)C(=NC(=N2)C3=C(C=CC(=C3)Cl)F)NC4=C(C=NC=C4)F

InChI

InChI=1S/C22H20ClF2N7/c1-32(2)10-9-27-19-6-4-14-20(28-18-7-8-26-12-17(18)25)30-22(31-21(14)29-19)15-11-13(23)3-5-16(15)24/h3-8,11-12H,9-10H2,1-2H3,(H2,26,27,28,29,30,31)

InChIKey

SVCFSTGHHXTNOI-UHFFFAOYSA-N

Compound name

2-(5-chloro-2-fluorophenyl)-7-N-[2-(dimethylamino)ethyl]-4-N-(3-fluoropyridin-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine

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]+	456.15096	208.6
[M+Na]+	478.13290	218.0
[M-H]-	454.13640	212.7
[M+NH4]+	473.17750	213.4
[M+K]+	494.10684	208.8
[M+H-H2O]+	438.14094	193.4
[M+HCOO]-	500.14188	222.2
[M+CH3COO]-	514.15753	215.7
[M+Na-2H]-	476.11835	213.4
[M]+	455.14313	210.5
[M]-	455.14423	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.15096

208.6

[M+Na]+

478.13290

218.0

[M-H]-

454.13640

212.7

[M+NH4]+

473.17750

213.4

[M+K]+

494.10684

208.8

[M+H-H2O]+

438.14094

193.4

[M+HCOO]-

500.14188

222.2

[M+CH3COO]-

514.15753

215.7

[M+Na-2H]-

476.11835

213.4

[M]+

455.14313

210.5

[M]-

455.14423

210.6

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

2-(5-chloro-2-fluoro-phenyl)-n7-(2-dimethylaminoethyl)-n4-(3-fluoro-4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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