CID 466871

4-(4-chlorobenzoyl)-3h-benzo[f]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C21H13ClN2O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)C4=CC=C(C=C4)Cl)C#N
InChI
InChI=1S/C21H13ClN2O/c22-16-8-5-15(6-9-16)21(25)24-17(13-23)10-11-19-18-4-2-1-3-14(18)7-12-20(19)24/h1-12,17H
InChIKey
ZMKPXKILQHDVAJ-UHFFFAOYSA-N
Compound name
4-(4-chlorobenzoyl)-3H-benzo[f]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.07166 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07894 185.6
[M+Na]+ 367.06088 198.1
[M-H]- 343.06438 190.2
[M+NH4]+ 362.10548 198.5
[M+K]+ 383.03482 186.2
[M+H-H2O]+ 327.06892 170.5
[M+HCOO]- 389.06986 195.9
[M+CH3COO]- 403.08551 194.2
[M+Na-2H]- 365.04633 189.0
[M]+ 344.07111 181.6
[M]- 344.07221 181.6
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.