CID 4167432

14628-08-1

Structural Information

Molecular Formula

C₁₆H₁₁ClN₂O₂

SMILES

C1=CC2=C(C(=C1)OC(=O)NC3=CC(=CC=C3)Cl)N=CC=C2

InChI

InChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20)

InChIKey

RPKVZILEJLGVFL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 298.0509 Da
Monoisotopic Mass: 4.0
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]+	299.05818	164.4
[M+Na]+	321.04012	173.3
[M-H]-	297.04362	170.6
[M+NH4]+	316.08472	179.6
[M+K]+	337.01406	167.5
[M+H-H2O]+	281.04816	156.0
[M+HCOO]-	343.04910	182.6
[M+CH3COO]-	357.06475	176.1
[M+Na-2H]-	319.02557	172.1
[M]+	298.05035	167.2
[M]-	298.05145	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe