CID 10937126

136401-69-9

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3
InChI
InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b17-11-
InChIKey
YNTUJOCADSTMCL-BOPFTXTBSA-N
Compound name
(5Z)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

354.10382 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 184.7
[M+Na]+ 377.09304 197.3
[M+NH4]+ 372.13764 191.0
[M+K]+ 393.06698 189.5
[M-H]- 353.09654 188.1
[M+Na-2H]- 375.07849 190.7
[M]+ 354.10327 187.7
[M]- 354.10437 187.7
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