CID 745952

8-methyl-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H13NO2/c1-11-6-5-9-13-14(17(19)20)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKey
KNNHBYHNBLIQDB-UHFFFAOYSA-N
Compound name
8-methyl-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe