CID 2442168

736162-68-8

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-PXNMLYILSA-N
Compound name
ethyl (2Z)-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 182.1
[M+Na]+ 371.10360 188.4
[M-H]- 347.10710 187.5
[M+NH4]+ 366.14820 196.2
[M+K]+ 387.07754 184.3
[M+H-H2O]+ 331.11164 174.7
[M+HCOO]- 393.11258 197.5
[M+CH3COO]- 407.12823 212.4
[M+Na-2H]- 369.08905 177.5
[M]+ 348.11383 185.4
[M]- 348.11493 185.4
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.