CID 3002859

(5r)-1-acetyl-4-[(4-chlorophenyl)methyl]-5-oxo-2-thioxoimidazolidine

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
CC(=O)N1C(=O)[C@H](NC1=S)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2S/c1-7(16)15-11(17)10(14-12(15)18)6-8-2-4-9(13)5-3-8/h2-5,10H,6H2,1H3,(H,14,18)/t10-/m1/s1
InChIKey
PZXSBPCHUSDXGX-SNVBAGLBSA-N
Compound name
(5R)-3-acetyl-5-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.030256 161.4
[M+Na]+ 305.012198 171.5
[M-H]- 281.015704 164.9
[M+NH4]+ 300.056803 177.6
[M+K]+ 320.986138 165.0
[M+H-H2O]+ 265.020240 155.5
[M+HCOO]- 327.021181 170.5
[M+CH3COO]- 341.036831 193.3
[M+Na-2H]- 302.997646 158.1
[M]+ 282.02243142 162.8
[M]- 282.02352858 162.8
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.