CID 466869

(4-chlorophenyl) 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C21H13ClN2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)OC4=CC=C(C=C4)Cl)C#N
InChI
InChI=1S/C21H13ClN2O2/c22-15-6-9-17(10-7-15)26-21(25)24-16(13-23)8-11-19-18-4-2-1-3-14(18)5-12-20(19)24/h1-12,16H
InChIKey
XOBNFSKWQVYSRU-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.06656 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07384 188.1
[M+Na]+ 383.05578 200.4
[M-H]- 359.05928 192.7
[M+NH4]+ 378.10038 200.3
[M+K]+ 399.02972 189.3
[M+H-H2O]+ 343.06382 172.8
[M+HCOO]- 405.06476 198.6
[M+CH3COO]- 419.08041 196.6
[M+Na-2H]- 381.04123 191.6
[M]+ 360.06601 185.3
[M]- 360.06711 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.