CID 2442166

Ethyl 2-(3-{[(2,5-dimethylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene)acetate

Structural Information

Molecular Formula
C17H20N2O4S
SMILES
CCOC(=O)/C=C/1\N(C(=O)CS1)CC(=O)NC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C17H20N2O4S/c1-4-23-17(22)8-16-19(15(21)10-24-16)9-14(20)18-13-7-11(2)5-6-12(13)3/h5-8H,4,9-10H2,1-3H3,(H,18,20)/b16-8+
InChIKey
GRJJYTYYBUHFAJ-LZYBPNLTSA-N
Compound name
ethyl (2E)-2-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.11438 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12166 183.5
[M+Na]+ 371.10360 191.7
[M+NH4]+ 366.14820 188.4
[M+K]+ 387.07754 186.8
[M-H]- 347.10710 184.3
[M+Na-2H]- 369.08905 185.5
[M]+ 348.11383 184.8
[M]- 348.11493 184.8
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.