CID 6447183

72732-42-4

Structural Information

Molecular Formula
C17H13N3O3S2
SMILES
C/C(=C\1/C(=O)N(C(=S)S1)NC(=O)C2=CC=NC=C2)/C=C/C3=CC=CO3
InChI
InChI=1S/C17H13N3O3S2/c1-11(4-5-13-3-2-10-23-13)14-16(22)20(17(24)25-14)19-15(21)12-6-8-18-9-7-12/h2-10H,1H3,(H,19,21)/b5-4+,14-11+
InChIKey
GUALBZMTKXGUOP-CTLAPNPFSA-N
Compound name
N-[(5E)-5-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]-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

371.03983 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04711 185.0
[M+Na]+ 394.02905 194.0
[M+NH4]+ 389.07365 190.5
[M+K]+ 410.00299 188.8
[M-H]- 370.03255 188.8
[M+Na-2H]- 392.01450 188.4
[M]+ 371.03928 187.9
[M]- 371.04038 187.9
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.