CID 202691

13097-08-0

Structural Information

Molecular Formula
C9H7N3O2S2
SMILES
C1C(=O)N(C(=S)S1)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C9H7N3O2S2/c13-7-5-16-9(15)12(7)11-8(14)6-1-3-10-4-2-6/h1-4H,5H2,(H,11,14)
InChIKey
PJRSYKJVEBWMKO-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99797 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00525 152.7
[M+Na]+ 275.98719 162.3
[M+NH4]+ 271.03179 159.9
[M+K]+ 291.96113 155.3
[M-H]- 251.99069 154.7
[M+Na-2H]- 273.97264 157.0
[M]+ 252.99742 155.2
[M]- 252.99852 155.2
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.