CID 71210

Paxamate

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CNC(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-15-14(16)17-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)

InChIKey

XZGFMHRLEMUFDK-UHFFFAOYSA-N

Compound name

(4-phenylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 227.09464 Da
Monoisotopic Mass: 2.9
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]+	228.101916	149.8
[M+Na]+	250.083858	156.6
[M-H]-	226.087364	156.7
[M+NH4]+	245.128463	167.4
[M+K]+	266.057798	153.7
[M+H-H2O]+	210.091900	142.2
[M+HCOO]-	272.092841	175.0
[M+CH3COO]-	286.108491	190.8
[M+Na-2H]-	248.069306	156.4
[M]+	227.09409142	150.0
[M]-	227.09518858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe