PubChemLite - (7r)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-5h,6h,7h,8h-pyrido[4,3-d]pyrimidin-5-one (C19H17FN6O2)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=NC(=N1)N)C[C@@H](NC2=O)C3=C(C=C(C=C3)F)C4=CN=CC(=N4)OC

InChI

InChI=1S/C19H17FN6O2/c1-9-17-14(26-19(21)23-9)6-13(25-18(17)27)11-4-3-10(20)5-12(11)15-7-22-8-16(24-15)28-2/h3-5,7-8,13H,6H2,1-2H3,(H,25,27)(H2,21,23,26)/t13-/m1/s1

InChIKey

XRFHWSYKRFEPRA-CYBMUJFWSA-N

Compound name

(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

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]+	381.14698	197.4
[M+Na]+	403.12892	207.5
[M-H]-	379.13242	199.1
[M+NH4]+	398.17352	202.0
[M+K]+	419.10286	198.7
[M+H-H2O]+	363.13696	183.8
[M+HCOO]-	425.13790	209.2
[M+CH3COO]-	439.15355	204.5
[M+Na-2H]-	401.11437	199.4
[M]+	380.13915	194.2
[M]-	380.14025	194.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.14698

197.4

[M+Na]+

403.12892

207.5

[M-H]-

379.13242

199.1

[M+NH4]+

398.17352

202.0

[M+K]+

419.10286

198.7

[M+H-H2O]+

363.13696

183.8

[M+HCOO]-

425.13790

209.2

[M+CH3COO]-

439.15355

204.5

[M+Na-2H]-

401.11437

199.4

[M]+

380.13915

194.2

[M]-

380.14025

194.2

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

(7r)-2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-5h,6h,7h,8h-pyrido[4,3-d]pyrimidin-5-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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