CID 24250749

2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1C(=O)N/C(=C\C(=O)C2=CN=CC=C2)/S1
InChI
InChI=1S/C10H8N2O2S/c13-8(7-2-1-3-11-5-7)4-10-12-9(14)6-15-10/h1-5H,6H2,(H,12,14)/b10-4+
InChIKey
LJKHRMZMBYAGQN-ONNFQVAWSA-N
Compound name
(2E)-2-(2-oxo-2-pyridin-3-ylethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 147.3
[M+Na]+ 243.019868 155.2
[M-H]- 219.023374 150.2
[M+NH4]+ 238.064473 164.4
[M+K]+ 258.993808 150.8
[M+H-H2O]+ 203.027910 140.3
[M+HCOO]- 265.028851 161.9
[M+CH3COO]- 279.044501 180.0
[M+Na-2H]- 241.005316 147.4
[M]+ 220.03010142 145.0
[M]- 220.03119858 145.0
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.