CID 135429851

23935-84-4

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1C2=C(CN1C3=CC=CC=C3)N=CNC2=O
InChI
InChI=1S/C12H11N3O/c16-12-10-6-15(7-11(10)13-8-14-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,16)
InChIKey
SWAKESPRLBPGMG-UHFFFAOYSA-N
Compound name
6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 145.6
[M+Na]+ 236.07943 155.1
[M-H]- 212.08293 148.2
[M+NH4]+ 231.12403 162.2
[M+K]+ 252.05337 149.8
[M+H-H2O]+ 196.08747 136.8
[M+HCOO]- 258.08841 164.7
[M+CH3COO]- 272.10406 157.7
[M+Na-2H]- 234.06488 151.9
[M]+ 213.08966 143.3
[M]- 213.09076 143.3
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.