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 165.6
[M+Na]+ 320.04488 183.4
[M+NH4]+ 315.08948 174.7
[M+K]+ 336.01882 174.5
[M-H]- 296.04838 170.5
[M+Na-2H]- 318.03033 174.9
[M]+ 297.05511 170.1
[M]- 297.05621 170.1
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