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

2
Patents

194.015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.022276 141.1
[M+Na]+ 217.004218 150.8
[M-H]- 193.007724 144.1
[M+NH4]+ 212.048823 159.6
[M+K]+ 232.978158 147.1
[M+H-H2O]+ 177.012260 135.8
[M+HCOO]- 239.013201 155.9
[M+CH3COO]- 253.028851 153.7
[M+Na-2H]- 214.989666 140.1
[M]+ 194.01445142 138.8
[M]- 194.01554858 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

patents stripe