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]+ 283.03026 161.4
[M+Na]+ 305.01220 171.5
[M-H]- 281.01570 164.9
[M+NH4]+ 300.05680 177.6
[M+K]+ 320.98614 165.0
[M+H-H2O]+ 265.02024 155.5
[M+HCOO]- 327.02118 170.5
[M+CH3COO]- 341.03683 193.3
[M+Na-2H]- 302.99765 158.1
[M]+ 282.02243 162.8
[M]- 282.02353 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.