CID 1274205

1908-94-7

Structural Information

Molecular Formula
C16H11N3O2S2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11N3O2S2/c20-14(12-6-8-17-9-7-12)18-19-15(21)13(23-16(19)22)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)/b13-10-
InChIKey
PJEQQFYYSRRNJI-RAXLEYEMSA-N
Compound name
N-[(5Z)-5-benzylidene-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

341.02927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03655 174.6
[M+Na]+ 364.01849 186.2
[M+NH4]+ 359.06309 181.7
[M+K]+ 379.99243 177.4
[M-H]- 340.02199 179.0
[M+Na-2H]- 362.00394 181.4
[M]+ 341.02872 178.2
[M]- 341.02982 178.2
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

No patent data available for this compound.