CID 11288529

Phenyl n-(quinolin-3-yl)carbamate

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C16H12N2O2/c19-16(20-14-7-2-1-3-8-14)18-13-10-12-6-4-5-9-15(12)17-11-13/h1-11H,(H,18,19)

InChIKey

JQFIWELAGHWNIN-UHFFFAOYSA-N

Compound name

phenyl N-quinolin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 264.08987 Da
Monoisotopic Mass: 3.9
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]+	265.097146	157.8
[M+Na]+	287.079088	164.9
[M-H]-	263.082594	163.9
[M+NH4]+	282.123693	173.1
[M+K]+	303.053028	160.6
[M+H-H2O]+	247.087130	148.7
[M+HCOO]-	309.088071	180.6
[M+CH3COO]-	323.103721	169.5
[M+Na-2H]-	285.064536	166.7
[M]+	264.08932142	157.7
[M]-	264.09041858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe