CID 1523996

72732-41-3

Structural Information

Molecular Formula
C14H9N3O3S2
SMILES
C1=COC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H9N3O3S2/c18-12(9-3-5-15-6-4-9)16-17-13(19)11(22-14(17)21)8-10-2-1-7-20-10/h1-8H,(H,16,18)/b11-8+
InChIKey
GQDSXMRCQWOMTQ-DHZHZOJOSA-N
Compound name
N-[(5E)-5-(furan-2-ylmethylidene)-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

331.00854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01582 175.0
[M+Na]+ 353.99776 184.8
[M-H]- 330.00126 183.9
[M+NH4]+ 349.04236 189.2
[M+K]+ 369.97170 180.0
[M+H-H2O]+ 314.00580 169.0
[M+HCOO]- 376.00674 187.8
[M+CH3COO]- 390.02239 186.2
[M+Na-2H]- 351.98321 172.0
[M]+ 331.00799 177.0
[M]- 331.00909 177.0
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.