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
1
Annotation Hits

0
References

41
Patents

227.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.