CID 3044874

57795-07-0

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
C1C(OC(=O)N1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2S/c19-16-18(15(21)17-13-9-5-2-6-10-13)11-14(20-16)12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,21)
InChIKey
VOTFXONORCWDMD-UHFFFAOYSA-N
Compound name
2-oxo-N,5-diphenyl-1,3-oxazolidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0776 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 168.2
[M+Na]+ 321.06682 175.3
[M-H]- 297.07032 177.5
[M+NH4]+ 316.11142 182.5
[M+K]+ 337.04076 171.3
[M+H-H2O]+ 281.07486 160.2
[M+HCOO]- 343.07580 185.2
[M+CH3COO]- 357.09145 179.5
[M+Na-2H]- 319.05227 168.9
[M]+ 298.07705 167.7
[M]- 298.07815 167.7
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.