CID 3056360

Carbamic acid, n,n-diphenylthio-, 2-hydroxyethyl ester

Structural Information

Molecular Formula
C15H15NO2S
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2CCO)C(=O)S
InChI
InChI=1S/C15H15NO2S/c17-11-10-12-6-4-5-9-14(12)16(15(18)19)13-7-2-1-3-8-13/h1-9,17H,10-11H2,(H,18,19)
InChIKey
YVWJMTZALNBRHO-UHFFFAOYSA-N
Compound name
[2-(2-hydroxyethyl)phenyl]-phenylcarbamothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 161.4
[M+Na]+ 296.07156 167.4
[M-H]- 272.07506 168.0
[M+NH4]+ 291.11616 177.4
[M+K]+ 312.04550 163.7
[M+H-H2O]+ 256.07960 153.6
[M+HCOO]- 318.08054 179.8
[M+CH3COO]- 332.09619 199.0
[M+Na-2H]- 294.05701 163.5
[M]+ 273.08179 163.5
[M]- 273.08289 163.5
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.