CID 1397784

(z)-n-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)nicotinamide

Structural Information

Molecular Formula
C19H17N3O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H17N3O5S2/c1-25-13-7-11(8-14(26-2)16(13)27-3)9-15-18(24)22(19(28)29-15)21-17(23)12-5-4-6-20-10-12/h4-10H,1-3H3,(H,21,23)/b15-9-
InChIKey
BLNNHDRFKAGFOA-DHDCSXOGSA-N
Compound name
N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.06097 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06825 198.4
[M+Na]+ 454.05019 206.5
[M-H]- 430.05369 205.7
[M+NH4]+ 449.09479 207.8
[M+K]+ 470.02413 200.1
[M+H-H2O]+ 414.05823 190.2
[M+HCOO]- 476.05917 209.1
[M+CH3COO]- 490.07482 225.6
[M+Na-2H]- 452.03564 194.5
[M]+ 431.06042 204.0
[M]- 431.06152 204.0
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.