CID 21652

5486-67-9

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H12N2O2/c1-10-2-3-14-12(8-10)13(16(19)20)9-15(18-14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,20)

InChIKey

XLXSVFLOMPKIHG-UHFFFAOYSA-N

Compound name

6-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 264.08987 Da
Monoisotopic Mass: 2.7
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]+	265.09715	159.7
[M+Na]+	287.07909	169.1
[M-H]-	263.08259	163.8
[M+NH4]+	282.12369	173.8
[M+K]+	303.05303	163.7
[M+H-H2O]+	247.08713	150.7
[M+HCOO]-	309.08807	178.5
[M+CH3COO]-	323.10372	171.2
[M+Na-2H]-	285.06454	166.2
[M]+	264.08932	160.0
[M]-	264.09042	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe