CID 2821422

4-(methylthio)phenyl phenylcarbamate

Structural Information

Molecular Formula
C14H13NO2S
SMILES
CSC1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H13NO2S/c1-18-13-9-7-12(8-10-13)17-14(16)15-11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)
InChIKey
VXHBGRBYTOBTMH-UHFFFAOYSA-N
Compound name
(4-methylsulfanylphenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

259.0667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.073976 156.8
[M+Na]+ 282.055918 163.8
[M-H]- 258.059424 163.6
[M+NH4]+ 277.100523 173.7
[M+K]+ 298.029858 159.7
[M+H-H2O]+ 242.063960 149.2
[M+HCOO]- 304.064901 176.7
[M+CH3COO]- 318.080551 194.5
[M+Na-2H]- 280.041366 160.6
[M]+ 259.06615142 159.1
[M]- 259.06724858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.