CID 6446060

Acetic acid, (3-methyl-4-oxo-5-phenyl-5-(1-piperidinyl)-2-thiazolidinylidene)-, ethyl ester

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
CCOC(=O)/C=C/1\N(C(=O)C(S1)(C2=CC=CC=C2)N3CCCCC3)C
InChI
InChI=1S/C19H24N2O3S/c1-3-24-17(22)14-16-20(2)18(23)19(25-16,15-10-6-4-7-11-15)21-12-8-5-9-13-21/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3/b16-14+
InChIKey
VZCHTRRFCKJDER-JQIJEIRASA-N
Compound name
ethyl (2E)-2-(3-methyl-4-oxo-5-phenyl-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 186.3
[M+Na]+ 383.13998 191.3
[M-H]- 359.14348 192.4
[M+NH4]+ 378.18458 200.1
[M+K]+ 399.11392 186.8
[M+H-H2O]+ 343.14802 177.9
[M+HCOO]- 405.14896 196.8
[M+CH3COO]- 419.16461 209.7
[M+Na-2H]- 381.12543 182.4
[M]+ 360.15021 184.7
[M]- 360.15131 184.7
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.