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]+ 298.062936 164.9
[M+Na]+ 320.044878 175.5
[M-H]- 296.048384 170.4
[M+NH4]+ 315.089483 180.3
[M+K]+ 336.018818 168.8
[M+H-H2O]+ 280.052920 157.4
[M+HCOO]- 342.053861 180.2
[M+CH3COO]- 356.069511 176.8
[M+Na-2H]- 318.030326 169.6
[M]+ 297.05511142 167.8
[M]- 297.05620858 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