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]+ 274.089616 161.4
[M+Na]+ 296.071558 167.4
[M-H]- 272.075064 168.0
[M+NH4]+ 291.116163 177.4
[M+K]+ 312.045498 163.7
[M+H-H2O]+ 256.079600 153.6
[M+HCOO]- 318.080541 179.8
[M+CH3COO]- 332.096191 199.0
[M+Na-2H]- 294.057006 163.5
[M]+ 273.08179142 163.5
[M]- 273.08288858 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.