CID 5718018

(5z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)N2)O
InChI
InChI=1S/C10H8N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)/b8-5-
InChIKey
DHXJMWRHVSOSTD-YVMONPNESA-N
Compound name
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

220.03065 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 147.8
[M+Na]+ 243.01987 156.9
[M-H]- 219.02337 148.5
[M+NH4]+ 238.06447 164.1
[M+K]+ 258.99381 150.0
[M+H-H2O]+ 203.02791 141.8
[M+HCOO]- 265.02885 160.3
[M+CH3COO]- 279.04450 176.7
[M+Na-2H]- 241.00532 146.8
[M]+ 220.03010 143.3
[M]- 220.03120 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe