CID 3054118

Brn 0578116

Structural Information

Molecular Formula
C23H23N3O
SMILES
CC1=C2C(=C(N1C)C3=CC=CC=C3)N(C(=O)N=C2C4=CC=CC=C4)C(C)C
InChI
InChI=1S/C23H23N3O/c1-15(2)26-22-19(20(24-23(26)27)17-11-7-5-8-12-17)16(3)25(4)21(22)18-13-9-6-10-14-18/h5-15H,1-4H3
InChIKey
FXEBWTNFTGYORM-UHFFFAOYSA-N
Compound name
5,6-dimethyl-4,7-diphenyl-1-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1841 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.191376 189.5
[M+Na]+ 380.173318 201.0
[M-H]- 356.176824 197.7
[M+NH4]+ 375.217923 201.4
[M+K]+ 396.147258 193.4
[M+H-H2O]+ 340.181360 178.6
[M+HCOO]- 402.182301 209.0
[M+CH3COO]- 416.197951 200.4
[M+Na-2H]- 378.158766 190.3
[M]+ 357.18355142 193.7
[M]- 357.18464858 193.7
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

No patent data available for this compound.