CID 3054116

1h-pyrrolo(3,4-d)pyrimidin-2(3h)-one, 1,3-diethyl-4,7-diphenyl-5-methyl-, hydrochloride

Structural Information

Molecular Formula
C23H23N3O
SMILES
CCN1C(=C2C(=NC(=C2N(C1=O)CC)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O/c1-4-25-21(18-14-10-7-11-15-18)19-16(3)24-20(17-12-8-6-9-13-17)22(19)26(5-2)23(25)27/h6-15H,4-5H2,1-3H3
InChIKey
NMOWPJSUJJPPPO-UHFFFAOYSA-N
Compound name
1,3-diethyl-5-methyl-4,7-diphenylpyrrolo[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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19138 190.5
[M+Na]+ 380.17332 201.4
[M-H]- 356.17682 198.1
[M+NH4]+ 375.21792 202.4
[M+K]+ 396.14726 193.4
[M+H-H2O]+ 340.18136 179.3
[M+HCOO]- 402.18230 209.7
[M+CH3COO]- 416.19795 201.0
[M+Na-2H]- 378.15877 191.3
[M]+ 357.18355 193.9
[M]- 357.18465 193.9
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.