CID 10377751

648450-29-7

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-UXBLZVDNSA-N
Compound name
(5E)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
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 156.2
[M+Na]+ 280.01512 169.3
[M+NH4]+ 275.05972 163.6
[M+K]+ 295.98906 162.5
[M-H]- 256.01862 157.8
[M+Na-2H]- 278.00057 161.5
[M]+ 257.02535 158.8
[M]- 257.02645 158.8
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