CID 5289247

5-quinoxalin-6-ylmethylene-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C12H7N3O2S
SMILES
C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3
InChI
InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
InChIKey
SQWZFLMPDUSYGV-POHAHGRESA-N
Compound name
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

101
References

304
Patents

257.0259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03318 155.6
[M+Na]+ 280.01512 166.3
[M-H]- 256.01862 158.6
[M+NH4]+ 275.05972 171.4
[M+K]+ 295.98906 160.0
[M+H-H2O]+ 240.02316 148.2
[M+HCOO]- 302.02410 169.2
[M+CH3COO]- 316.03975 167.1
[M+Na-2H]- 278.00057 157.5
[M]+ 257.02535 154.9
[M]- 257.02645 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe