CID 4421789

14577-80-1

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=CC=C3)C=C1

InChI

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

InChIKey

JZXXTWUVIOPHOR-UHFFFAOYSA-N

Compound name

(2-methylquinolin-8-yl) N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 278.10553 Da
Monoisotopic Mass: 3.7
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]+	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