CID 135417394

Brn 0612861

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)N=CNC2=O
InChI
InChI=1S/C13H11N3O/c1-8-10-12(14-7-15-13(10)17)11(16-8)9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15,17)
InChIKey
FQAQFLZBSXCODG-UHFFFAOYSA-N
Compound name
5-methyl-7-phenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.9
[M+Na]+ 248.07943 164.9
[M+NH4]+ 243.12403 156.7
[M+K]+ 264.05337 159.3
[M-H]- 224.08293 151.4
[M+Na-2H]- 246.06488 157.4
[M]+ 225.08966 151.9
[M]- 225.09076 151.9
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

patents stripe