CID 3002855

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

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CC(=O)N1C(=O)[C@H](NC1=S)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2S/c1-7(14)13-10(15)9(12-11(13)16)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,16)/t9-/m1/s1
InChIKey
FHNXKBAUHOXFQH-SECBINFHSA-N
Compound name
(5R)-3-acetyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.053576 151.1
[M+Na]+ 257.035518 160.3
[M-H]- 233.039024 154.6
[M+NH4]+ 252.080123 168.2
[M+K]+ 273.009458 155.6
[M+H-H2O]+ 217.043560 144.5
[M+HCOO]- 279.044501 165.3
[M+CH3COO]- 293.060151 185.4
[M+Na-2H]- 255.020966 149.4
[M]+ 234.04575142 150.0
[M]- 234.04684858 150.0
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.