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 174.4
[M+Na]+ 340.10564 192.3
[M+NH4]+ 335.15024 181.5
[M+K]+ 356.07958 185.7
[M-H]- 316.10914 179.1
[M+Na-2H]- 338.09109 184.2
[M]+ 317.11587 178.4
[M]- 317.11697 178.4
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