CID 416456

2-amino-6-benzyl-4-phenyl-3,4-dihydro-5h-pyrrolo(3,4-d)pyrimidin-7(6h)-one hydrochloride

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1C2=C(C(=O)N1CC3=CC=CC=C3)NC(=NC2C4=CC=CC=C4)N
InChI
InChI=1S/C19H18N4O/c20-19-21-16(14-9-5-2-6-10-14)15-12-23(18(24)17(15)22-19)11-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H3,20,21,22)
InChIKey
SAKFLHFWZQOFAC-UHFFFAOYSA-N
Compound name
2-amino-6-benzyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 175.9
[M+Na]+ 341.13729 183.5
[M-H]- 317.14079 180.9
[M+NH4]+ 336.18189 187.3
[M+K]+ 357.11123 175.6
[M+H-H2O]+ 301.14533 165.2
[M+HCOO]- 363.14627 192.8
[M+CH3COO]- 377.16192 185.2
[M+Na-2H]- 339.12274 178.1
[M]+ 318.14752 171.2
[M]- 318.14862 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.