CID 11209446

Phenyl [2-(phenylthio)phenyl]carbamate

Structural Information

Molecular Formula
C19H15NO2S
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C19H15NO2S/c21-19(22-15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKey
FWULFEHVLSQUBD-UHFFFAOYSA-N
Compound name
phenyl N-(2-phenylsulfanylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

321.08234 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08962 173.5
[M+Na]+ 344.07156 179.7
[M-H]- 320.07506 182.9
[M+NH4]+ 339.11616 187.2
[M+K]+ 360.04550 174.0
[M+H-H2O]+ 304.07960 164.5
[M+HCOO]- 366.08054 193.2
[M+CH3COO]- 380.09619 184.4
[M+Na-2H]- 342.05701 177.5
[M]+ 321.08179 174.8
[M]- 321.08289 174.8
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

patents stripe