CID 1274205

1908-94-7

Structural Information

Molecular Formula
C16H11N3O2S2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11N3O2S2/c20-14(12-6-8-17-9-7-12)18-19-15(21)13(23-16(19)22)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)/b13-10-
InChIKey
PJEQQFYYSRRNJI-RAXLEYEMSA-N
Compound name
N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.02927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03655 177.0
[M+Na]+ 364.01849 185.6
[M-H]- 340.02199 184.2
[M+NH4]+ 359.06309 189.9
[M+K]+ 379.99243 177.9
[M+H-H2O]+ 324.02653 169.2
[M+HCOO]- 386.02747 188.4
[M+CH3COO]- 400.04312 187.0
[M+Na-2H]- 362.00394 175.1
[M]+ 341.02872 176.5
[M]- 341.02982 176.5
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.