CID 5938462

68710-95-2

Structural Information

Molecular Formula
C16H11N3O3S2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C16H11N3O3S2/c20-12-4-2-1-3-11(12)9-13-15(22)19(16(23)24-13)18-14(21)10-5-7-17-8-6-10/h1-9,20H,(H,18,21)/b13-9-
InChIKey
PXKOWTHHYUUYLI-LCYFTJDESA-N
Compound name
N-[(5Z)-5-[(2-hydroxyphenyl)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

357.02417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03145 179.9
[M+Na]+ 380.01339 188.4
[M-H]- 356.01689 186.0
[M+NH4]+ 375.05799 191.6
[M+K]+ 395.98733 180.4
[M+H-H2O]+ 340.02143 172.5
[M+HCOO]- 402.02237 190.0
[M+CH3COO]- 416.03802 189.2
[M+Na-2H]- 377.99884 177.5
[M]+ 357.02362 179.4
[M]- 357.02472 179.4
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.