CID 6446059

Ethyl (3-ethyl-5-((2-hydroxyethyl)methylamino)-4-oxo-5-phenyl-2-thiazolidinylidene)acetate

Structural Information

Molecular Formula
C18H24N2O4S
SMILES
CCN1/C(=C/C(=O)OCC)/SC(C1=O)(C2=CC=CC=C2)N(C)CCO
InChI
InChI=1S/C18H24N2O4S/c1-4-20-15(13-16(22)24-5-2)25-18(17(20)23,19(3)11-12-21)14-9-7-6-8-10-14/h6-10,13,21H,4-5,11-12H2,1-3H3/b15-13-
InChIKey
OJBZKQVECCETQL-SQFISAMPSA-N
Compound name
ethyl (2Z)-2-[3-ethyl-5-[2-hydroxyethyl(methyl)amino]-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1457 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15298 186.7
[M+Na]+ 387.13492 194.4
[M+NH4]+ 382.17952 193.2
[M+K]+ 403.10886 187.6
[M-H]- 363.13842 187.6
[M+Na-2H]- 385.12037 190.7
[M]+ 364.14515 188.2
[M]- 364.14625 188.2
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.