CID 95792

3-quinolinecarbamic acid, ethyl ester

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CCOC(=O)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C12H12N2O2/c1-2-16-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)

InChIKey

OLYXRLUSUBYUJE-UHFFFAOYSA-N

Compound name

ethyl N-quinolin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.08987 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]+	217.09715	145.8
[M+Na]+	239.07909	153.5
[M-H]-	215.08259	149.0
[M+NH4]+	234.12369	163.8
[M+K]+	255.05303	150.8
[M+H-H2O]+	199.08713	138.3
[M+HCOO]-	261.08807	168.7
[M+CH3COO]-	275.10372	189.2
[M+Na-2H]-	237.06454	154.3
[M]+	216.08932	147.1
[M]-	216.09042	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe