CID 16226184

Chembl3360312

Structural Information

Molecular Formula
C19H17FN6O2
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

compound 2d structure
1
Annotation Hits

1
References

38
Patents

380.1397 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14698 193.2
[M+Na]+ 403.12892 208.2
[M+NH4]+ 398.17352 197.7
[M+K]+ 419.10286 201.4
[M-H]- 379.13242 195.8
[M+Na-2H]- 401.11437 199.6
[M]+ 380.13915 195.9
[M]- 380.14025 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe