CID 7138019

4-[(4-carboxyphenyl)amino]-2-methylquinoline-6-carboxylic acid

Structural Information

Molecular Formula
C18H14N2O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)C(=O)O)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C18H14N2O4/c1-10-8-16(20-13-5-2-11(3-6-13)17(21)22)14-9-12(18(23)24)4-7-15(14)19-10/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKey
CKESPKRLANVTKC-UHFFFAOYSA-N
Compound name
4-(4-carboxyanilino)-2-methylquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 172.4
[M+Na]+ 345.084588 179.9
[M-H]- 321.088094 176.6
[M+NH4]+ 340.129193 184.3
[M+K]+ 361.058528 175.3
[M+H-H2O]+ 305.092630 163.9
[M+HCOO]- 367.093571 190.9
[M+CH3COO]- 381.109221 208.3
[M+Na-2H]- 343.070036 176.2
[M]+ 322.09482142 172.4
[M]- 322.09591858 172.4
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

No patent data available for this compound.