CID 100292

57436-21-2

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O2/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-19(24)22(18(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,24)
InChIKey
KOINPIFMCMFTIB-UHFFFAOYSA-N
Compound name
5-methyl-3,7-diphenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 174.3
[M+Na]+ 340.10564 186.3
[M-H]- 316.10914 180.2
[M+NH4]+ 335.15024 186.2
[M+K]+ 356.07958 177.5
[M+H-H2O]+ 300.11368 164.5
[M+HCOO]- 362.11462 193.7
[M+CH3COO]- 376.13027 185.4
[M+Na-2H]- 338.09109 178.4
[M]+ 317.11587 174.7
[M]- 317.11697 174.7
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