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 176.8
[M+Na]+ 341.13729 191.1
[M+NH4]+ 336.18189 184.3
[M+K]+ 357.11123 184.9
[M-H]- 317.14079 182.0
[M+Na-2H]- 339.12274 184.8
[M]+ 318.14752 180.2
[M]- 318.14862 180.2
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.