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]+ 358.19138 189.5
[M+Na]+ 380.17332 201.0
[M-H]- 356.17682 197.7
[M+NH4]+ 375.21792 201.4
[M+K]+ 396.14726 193.4
[M+H-H2O]+ 340.18136 178.6
[M+HCOO]- 402.18230 209.0
[M+CH3COO]- 416.19795 200.4
[M+Na-2H]- 378.15877 190.3
[M]+ 357.18355 193.7
[M]- 357.18465 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.