CID 1524002

72732-39-9

Structural Information

Molecular Formula
C17H13N3O4S2
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C17H13N3O4S2/c1-24-13-8-10(2-3-12(13)21)9-14-16(23)20(17(25)26-14)19-15(22)11-4-6-18-7-5-11/h2-9,21H,1H3,(H,19,22)/b14-9+
InChIKey
WUQSUTWAOKZXAK-NTEUORMPSA-N
Compound name
N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)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

387.03476 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.04204 187.1
[M+Na]+ 410.02398 195.4
[M-H]- 386.02748 193.2
[M+NH4]+ 405.06858 197.5
[M+K]+ 425.99792 187.9
[M+H-H2O]+ 370.03202 179.6
[M+HCOO]- 432.03296 196.9
[M+CH3COO]- 446.04861 214.2
[M+Na-2H]- 408.00943 183.9
[M]+ 387.03421 188.6
[M]- 387.03531 188.6
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.