PubChemLite - 934343-74-5 (C20H18FN5O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1

InChIKey

WSMQUUGTQYPVPD-OAHLLOKOSA-N

Compound name

(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-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]+	380.15172	193.5
[M+Na]+	402.13366	208.6
[M+NH4]+	397.17826	198.7
[M+K]+	418.10760	201.3
[M-H]-	378.13716	196.9
[M+Na-2H]-	400.11911	200.2
[M]+	379.14389	196.5
[M]-	379.14499	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.15172

193.5

[M+Na]+

402.13366

208.6

[M+NH4]+

397.17826

198.7

[M+K]+

418.10760

201.3

[M-H]-

378.13716

196.9

[M+Na-2H]-

400.11911

200.2

[M]+

379.14389

196.5

[M]-

379.14499

196.5

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

934343-74-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe