CID 1397772

301687-36-5

Structural Information

Molecular Formula
C19H17N3O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C19H17N3O5S2/c1-25-13-8-11(9-14(26-2)16(13)27-3)10-15-18(24)22(19(28)29-15)21-17(23)12-4-6-20-7-5-12/h4-10H,1-3H3,(H,21,23)/b15-10-
InChIKey
XKCGZYBUBUZIGO-GDNBJRDFSA-N
Compound name
N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]pyridine-4-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 199.3
[M+Na]+ 454.05019 209.6
[M+NH4]+ 449.09479 204.0
[M+K]+ 470.02413 202.3
[M-H]- 430.05369 202.2
[M+Na-2H]- 452.03564 203.4
[M]+ 431.06042 202.1
[M]- 431.06152 202.1
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.