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]+ 242.09241 152.3
[M+Na]+ 264.07435 164.6
[M-H]- 240.07785 153.8
[M+NH4]+ 259.11895 167.1
[M+K]+ 280.04829 156.8
[M+H-H2O]+ 224.08239 144.6
[M+HCOO]- 286.08333 171.2
[M+CH3COO]- 300.09898 164.3
[M+Na-2H]- 262.05980 157.8
[M]+ 241.08458 151.2
[M]- 241.08568 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