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]+ 221.03793 147.3
[M+Na]+ 243.01987 155.2
[M-H]- 219.02337 150.2
[M+NH4]+ 238.06447 164.4
[M+K]+ 258.99381 150.8
[M+H-H2O]+ 203.02791 140.3
[M+HCOO]- 265.02885 161.9
[M+CH3COO]- 279.04450 180.0
[M+Na-2H]- 241.00532 147.4
[M]+ 220.03010 145.0
[M]- 220.03120 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.