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]+ 235.05358 151.1
[M+Na]+ 257.03552 160.3
[M-H]- 233.03902 154.6
[M+NH4]+ 252.08012 168.2
[M+K]+ 273.00946 155.6
[M+H-H2O]+ 217.04356 144.5
[M+HCOO]- 279.04450 165.3
[M+CH3COO]- 293.06015 185.4
[M+Na-2H]- 255.02097 149.4
[M]+ 234.04575 150.0
[M]- 234.04685 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.