CID 1269435

Protonstatin-1

Structural Information

Molecular Formula
C8H5NO2S2
SMILES
C1=COC(=C1)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C8H5NO2S2/c10-7-6(13-8(12)9-7)4-5-2-1-3-11-5/h1-4H,(H,9,10,12)/b6-4-
InChIKey
ISSUVJNRFWFRIV-XQRVVYSFSA-N
Compound name
(5Z)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

210.97617 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98345 143.9
[M+Na]+ 233.96539 154.6
[M-H]- 209.96889 149.6
[M+NH4]+ 229.00999 164.2
[M+K]+ 249.93933 150.7
[M+H-H2O]+ 193.97343 139.9
[M+HCOO]- 255.97437 156.2
[M+CH3COO]- 269.99002 157.1
[M+Na-2H]- 231.95084 141.6
[M]+ 210.97562 144.1
[M]- 210.97672 144.1
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