CID 3114247

Schembl1247438

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=NC(=C1)C=C2C(=O)NC(=O)S2
InChI
InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)
InChIKey
NYTMYQRFLUTBEL-UHFFFAOYSA-N
Compound name
5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

206.015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.022276 142.6
[M+Na]+ 229.004218 152.2
[M-H]- 205.007724 146.0
[M+NH4]+ 224.048823 160.7
[M+K]+ 244.978158 147.4
[M+H-H2O]+ 189.012260 136.0
[M+HCOO]- 251.013201 158.6
[M+CH3COO]- 265.028851 177.3
[M+Na-2H]- 226.989666 143.6
[M]+ 206.01445142 141.0
[M]- 206.01554858 141.0
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

patents stripe