CID 4368426

99541-00-1

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

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

InChI

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

InChIKey

MELUHCQRXCUJRE-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-(4-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]+	279.112806	162.9
[M+Na]+	301.094748	170.5
[M-H]-	277.098254	169.2
[M+NH4]+	296.139353	178.0
[M+K]+	317.068688	166.1
[M+H-H2O]+	261.102790	153.7
[M+HCOO]-	323.103731	185.3
[M+CH3COO]-	337.119381	174.6
[M+Na-2H]-	299.080196	170.5
[M]+	278.10498142	163.6
[M]-	278.10607858	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe