CID 698707

6-methyl-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKey
QTHANKFZSPYAPO-UHFFFAOYSA-N
Compound name
6-methyl-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

263.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.2
[M+Na]+ 286.08386 168.1
[M-H]- 262.08736 164.6
[M+NH4]+ 281.12846 174.7
[M+K]+ 302.05780 162.8
[M+H-H2O]+ 246.09190 150.9
[M+HCOO]- 308.09284 179.0
[M+CH3COO]- 322.10849 171.1
[M+Na-2H]- 284.06931 165.1
[M]+ 263.09409 159.3
[M]- 263.09519 159.3
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

patents stripe