CID 3044871

57795-04-7

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]+ 237.06923 152.1
[M+Na]+ 259.05117 159.8
[M-H]- 235.05467 158.6
[M+NH4]+ 254.09577 169.5
[M+K]+ 275.02511 157.5
[M+H-H2O]+ 219.05921 145.4
[M+HCOO]- 281.06015 169.1
[M+CH3COO]- 295.07580 189.1
[M+Na-2H]- 257.03662 152.9
[M]+ 236.06140 152.3
[M]- 236.06250 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.