CID 1274207

N-[(5z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Structural Information

Molecular Formula
C17H13N3O2S2
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H13N3O2S2/c1-11-2-4-12(5-3-11)10-14-16(22)20(17(23)24-14)19-15(21)13-6-8-18-9-7-13/h2-10H,1H3,(H,19,21)/b14-10-
InChIKey
AOHGFWVTYYWCQJ-UVTDQMKNSA-N
Compound name
N-[(5Z)-5-[(4-methylphenyl)methylidene]-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

355.04492 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05220 181.2
[M+Na]+ 378.03414 190.1
[M-H]- 354.03764 188.5
[M+NH4]+ 373.07874 193.8
[M+K]+ 394.00808 182.2
[M+H-H2O]+ 338.04218 173.4
[M+HCOO]- 400.04312 192.2
[M+CH3COO]- 414.05877 191.0
[M+Na-2H]- 376.01959 178.2
[M]+ 355.04437 181.5
[M]- 355.04547 181.5
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.