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 185.3
[M+Na]+ 387.13492 190.7
[M-H]- 363.13842 190.2
[M+NH4]+ 382.17952 200.4
[M+K]+ 403.10886 187.4
[M+H-H2O]+ 347.14296 178.3
[M+HCOO]- 409.14390 200.1
[M+CH3COO]- 423.15955 215.0
[M+Na-2H]- 385.12037 182.7
[M]+ 364.14515 189.7
[M]- 364.14625 189.7
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.