CID 3044515

Brn 0630141

Structural Information

Molecular Formula
C23H23N3O
SMILES
CCN1C(=C2C(=C1C3=CC=CC=C3)N(C(=O)N=C2C4=CC=CC=C4)CC)C
InChI
InChI=1S/C23H23N3O/c1-4-25-16(3)19-20(17-12-8-6-9-13-17)24-23(27)26(5-2)22(19)21(25)18-14-10-7-11-15-18/h6-15H,4-5H2,1-3H3
InChIKey
SDYMNJMGCIGMAR-UHFFFAOYSA-N
Compound name
1,6-diethyl-5-methyl-4,7-diphenylpyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

357.1841 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19138 189.0
[M+Na]+ 380.17332 208.0
[M+NH4]+ 375.21792 197.0
[M+K]+ 396.14726 199.6
[M-H]- 356.17682 195.3
[M+Na-2H]- 378.15877 199.2
[M]+ 357.18355 193.8
[M]- 357.18465 193.8
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