CID 3044517

Brn 0614530

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)NC2=O
InChI
InChI=1S/C13H11N3O2/c1-7-9-11(15-13(18)16-12(9)17)10(14-7)8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,15,16,17,18)
InChIKey
JRUSXNGQMQEZKH-UHFFFAOYSA-N
Compound name
5-methyl-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 152.3
[M+Na]+ 264.074348 164.6
[M-H]- 240.077854 153.8
[M+NH4]+ 259.118953 167.1
[M+K]+ 280.048288 156.8
[M+H-H2O]+ 224.082390 144.6
[M+HCOO]- 286.083331 171.2
[M+CH3COO]- 300.098981 164.3
[M+Na-2H]- 262.059796 157.8
[M]+ 241.08458142 151.2
[M]- 241.08567858 151.2
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

patents stripe