CID 1550469

Nsc684361

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=COC(=C1)/C=C\2/C(=O)NC(=S)N2
InChI
InChI=1S/C8H6N2O2S/c11-7-6(9-8(13)10-7)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11,13)/b6-4-
InChIKey
GARSQZBFJYWLJC-XQRVVYSFSA-N
Compound name
(5Z)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

194.015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 141.1
[M+Na]+ 217.00422 150.8
[M-H]- 193.00772 144.1
[M+NH4]+ 212.04882 159.6
[M+K]+ 232.97816 147.1
[M+H-H2O]+ 177.01226 135.8
[M+HCOO]- 239.01320 155.9
[M+CH3COO]- 253.02885 153.7
[M+Na-2H]- 214.98967 140.1
[M]+ 194.01445 138.8
[M]- 194.01555 138.8
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

No patent data available for this compound.