CID 372524

Nsc647658

Structural Information

Molecular Formula
C23H17N3O
SMILES
C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H17N3O/c27-23-22-20(15-26(23)25-17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)21(22)16-9-3-1-4-10-16/h1-14,25H,15H2
InChIKey
DUMZERJISHELHI-UHFFFAOYSA-N
Compound name
2-anilino-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.13718 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14446 182.8
[M+Na]+ 374.12640 191.1
[M-H]- 350.12990 191.7
[M+NH4]+ 369.17100 195.8
[M+K]+ 390.10034 183.0
[M+H-H2O]+ 334.13444 171.5
[M+HCOO]- 396.13538 202.6
[M+CH3COO]- 410.15103 192.9
[M+Na-2H]- 372.11185 187.9
[M]+ 351.13663 181.5
[M]- 351.13773 181.5
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.