CID 606180

75483-04-4

Structural Information

Molecular Formula

C₁₃H₁₂ClNO₃

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)Cl

InChI

InChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3

InChIKey

XUJQDJGGHFNYDY-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 79
Patents: 265.05057 Da
Monoisotopic Mass: 2.3
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]+	266.05785	153.1
[M+Na]+	288.03979	164.9
[M-H]-	264.04329	157.2
[M+NH4]+	283.08439	171.2
[M+K]+	304.01373	160.5
[M+H-H2O]+	248.04783	147.1
[M+HCOO]-	310.04877	170.4
[M+CH3COO]-	324.06442	196.6
[M+Na-2H]-	286.02524	158.2
[M]+	265.05002	159.7
[M]-	265.05112	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe