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]+ 228.10192 149.8
[M+Na]+ 250.08386 156.6
[M-H]- 226.08736 156.7
[M+NH4]+ 245.12846 167.4
[M+K]+ 266.05780 153.7
[M+H-H2O]+ 210.09190 142.2
[M+HCOO]- 272.09284 175.0
[M+CH3COO]- 286.10849 190.8
[M+Na-2H]- 248.06931 156.4
[M]+ 227.09409 150.0
[M]- 227.09519 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.