CID 3044871

3-oxazolidinecarbothioamide, n-methyl-2-oxo-5-phenyl-

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CNC(=S)N1CC(OC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2S/c1-12-10(16)13-7-9(15-11(13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,16)
InChIKey
ANLDATRAAIJOGW-UHFFFAOYSA-N
Compound name
N-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.069226 152.1
[M+Na]+ 259.051168 159.8
[M-H]- 235.054674 158.6
[M+NH4]+ 254.095773 169.5
[M+K]+ 275.025108 157.5
[M+H-H2O]+ 219.059210 145.4
[M+HCOO]- 281.060151 169.1
[M+CH3COO]- 295.075801 189.1
[M+Na-2H]- 257.036616 152.9
[M]+ 236.06140142 152.3
[M]- 236.06249858 152.3
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.