CID 874719

2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O
InChI
InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,21)
InChIKey
CDRUOLULNFZWLV-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.05566 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 164.9
[M+Na]+ 320.04488 175.5
[M-H]- 296.04838 170.4
[M+NH4]+ 315.08948 180.3
[M+K]+ 336.01882 168.8
[M+H-H2O]+ 280.05292 157.4
[M+HCOO]- 342.05386 180.2
[M+CH3COO]- 356.06951 176.8
[M+Na-2H]- 318.03033 169.6
[M]+ 297.05511 167.8
[M]- 297.05621 167.8
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