CID 3002858

(5r)-1-acetyl-5-oxo-4-benzyl-2-thioxoimidazolidine

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC(=O)N1C(=O)[C@H](NC1=S)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2S/c1-8(15)14-11(16)10(13-12(14)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,17)/t10-/m1/s1
InChIKey
LFLSWDBNJSBMNR-SNVBAGLBSA-N
Compound name
(5R)-3-acetyl-5-benzyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 155.5
[M+Na]+ 271.05117 164.2
[M-H]- 247.05467 158.8
[M+NH4]+ 266.09577 172.0
[M+K]+ 287.02511 159.2
[M+H-H2O]+ 231.05921 148.7
[M+HCOO]- 293.06015 169.3
[M+CH3COO]- 307.07580 188.4
[M+Na-2H]- 269.03662 153.3
[M]+ 248.06140 154.7
[M]- 248.06250 154.7
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.