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]+ 223.053576 148.0
[M+Na]+ 245.035518 156.7
[M-H]- 221.039024 148.7
[M+NH4]+ 240.080123 164.3
[M+K]+ 261.009458 150.5
[M+H-H2O]+ 205.043560 141.9
[M+HCOO]- 267.044501 160.4
[M+CH3COO]- 281.060151 178.2
[M+Na-2H]- 243.020966 147.1
[M]+ 222.04575142 144.3
[M]- 222.04684858 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.