CID 3075053

171204-15-2

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C16H12N2O2/c19-16(20)13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,17,18)(H,19,20)

InChIKey

MPKDFVOXJKFNDS-UHFFFAOYSA-N

Compound name

2-anilinoquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 264.08987 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.097146	157.7
[M+Na]+	287.079088	165.2
[M-H]-	263.082594	162.8
[M+NH4]+	282.123693	172.5
[M+K]+	303.053028	160.1
[M+H-H2O]+	247.087130	149.1
[M+HCOO]-	309.088071	178.9
[M+CH3COO]-	323.103721	169.1
[M+Na-2H]-	285.064536	165.5
[M]+	264.08932142	156.4
[M]-	264.09041858	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe