CID 3307286

Quinolin-8-yl m-tolylcarbamate

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

CC1=CC(=CC=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H14N2O2/c1-12-5-2-8-14(11-12)19-17(20)21-15-9-3-6-13-7-4-10-18-16(13)15/h2-11H,1H3,(H,19,20)

InChIKey

IVNXRBAXEBOJEW-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-(3-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 278.10553 Da
Monoisotopic Mass: 3.8
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]+	279.11281	163.7
[M+Na]+	301.09475	179.1
[M+NH4]+	296.13935	172.3
[M+K]+	317.06869	170.8
[M-H]-	277.09825	169.1
[M+Na-2H]-	299.08020	173.6
[M]+	278.10498	167.5
[M]-	278.10608	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe