PubChemLite - Schembl2211327 (C20H15ClFN7O)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC(=N3)N)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C20H15ClFN7O/c1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29)

InChIKey

SWMVTNIFUVMNOT-UHFFFAOYSA-N

Compound name

4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-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]+	424.10835	199.6
[M+Na]+	446.09029	209.7
[M-H]-	422.09379	203.9
[M+NH4]+	441.13489	204.9
[M+K]+	462.06423	200.6
[M+H-H2O]+	406.09833	186.5
[M+HCOO]-	468.09927	213.3
[M+CH3COO]-	482.11492	207.3
[M+Na-2H]-	444.07574	204.9
[M]+	423.10052	199.9
[M]-	423.10162	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.10835

199.6

[M+Na]+

446.09029

209.7

[M-H]-

422.09379

203.9

[M+NH4]+

441.13489

204.9

[M+K]+

462.06423

200.6

[M+H-H2O]+

406.09833

186.5

[M+HCOO]-

468.09927

213.3

[M+CH3COO]-

482.11492

207.3

[M+Na-2H]-

444.07574

204.9

[M]+

423.10052

199.9

[M]-

423.10162

199.9

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

Schembl2211327

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe