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]+ 299.084876 168.2
[M+Na]+ 321.066818 175.3
[M-H]- 297.070324 177.5
[M+NH4]+ 316.111423 182.5
[M+K]+ 337.040758 171.3
[M+H-H2O]+ 281.074860 160.2
[M+HCOO]- 343.075801 185.2
[M+CH3COO]- 357.091451 179.5
[M+Na-2H]- 319.052266 168.9
[M]+ 298.07705142 167.7
[M]- 298.07814858 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.