CID 1274209

N-[5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide

Structural Information

Molecular Formula
C18H15N3O4S2
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)OC
InChI
InChI=1S/C18H15N3O4S2/c1-24-13-4-3-11(9-14(13)25-2)10-15-17(23)21(18(26)27-15)20-16(22)12-5-7-19-8-6-12/h3-10H,1-2H3,(H,20,22)/b15-10-
InChIKey
GCUFVKJZTPFXSN-GDNBJRDFSA-N
Compound name
N-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.05038 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.057656 191.5
[M+Na]+ 424.039598 199.9
[M-H]- 400.043104 198.9
[M+NH4]+ 419.084203 202.1
[M+K]+ 440.013538 193.0
[M+H-H2O]+ 384.047640 183.5
[M+HCOO]- 446.048581 202.5
[M+CH3COO]- 460.064231 219.2
[M+Na-2H]- 422.025046 188.2
[M]+ 401.04983142 195.1
[M]- 401.05092858 195.1
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.