CID 5463400

Nsc684372

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)N2)O
InChI
InChI=1S/C10H8N2O2S/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7/h1-5,13H,(H2,11,12,14,15)/b7-5+
InChIKey
DAJICUYKPNPGQQ-FNORWQNLSA-N
Compound name
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe