CID 3002860

(5r)-5-[(4-hydroxyphenyl)methyl]-2-thioxo-imidazolidin-4-one

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1=CC(=CC=C1C[C@@H]2C(=O)NC(=S)N2)O
InChI
InChI=1S/C10H10N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)/t8-/m1/s1
InChIKey
HSOPXLJCZXTRCI-MRVPVSSYSA-N
Compound name
(5R)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 148.0
[M+Na]+ 245.03552 156.7
[M-H]- 221.03902 148.7
[M+NH4]+ 240.08012 164.3
[M+K]+ 261.00946 150.5
[M+H-H2O]+ 205.04356 141.9
[M+HCOO]- 267.04450 160.4
[M+CH3COO]- 281.06015 178.2
[M+Na-2H]- 243.02097 147.1
[M]+ 222.04575 144.3
[M]- 222.04685 144.3
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.