CID 1274210

N-(5-((4-methoxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-4-pyridinecarboxamide

Structural Information

Molecular Formula
C17H13N3O3S2
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H13N3O3S2/c1-23-13-4-2-11(3-5-13)10-14-16(22)20(17(24)25-14)19-15(21)12-6-8-18-9-7-12/h2-10H,1H3,(H,19,21)/b14-10+
InChIKey
DHQPCIWJIMCPJK-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.03983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04711 184.4
[M+Na]+ 394.02905 192.9
[M-H]- 370.03255 191.7
[M+NH4]+ 389.07365 196.2
[M+K]+ 410.00299 185.6
[M+H-H2O]+ 354.03709 176.5
[M+HCOO]- 416.03803 195.6
[M+CH3COO]- 430.05368 212.9
[M+Na-2H]- 392.01450 181.8
[M]+ 371.03928 186.0
[M]- 371.04038 186.0
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.