CID 6447376

Dtxsid30874352

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CCOC(=O)/C=C/1\NC(=O)C(S1)N2CCCCC2
InChI
InChI=1S/C12H18N2O3S/c1-2-17-10(15)8-9-13-11(16)12(18-9)14-6-4-3-5-7-14/h8,12H,2-7H2,1H3,(H,13,16)/b9-8+
InChIKey
ZSLDRKKMJJEBTM-CMDGGOBGSA-N
Compound name
ethyl (2E)-2-(4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 163.7
[M+Na]+ 293.09304 168.2
[M-H]- 269.09654 165.3
[M+NH4]+ 288.13764 178.7
[M+K]+ 309.06698 164.6
[M+H-H2O]+ 253.10108 156.5
[M+HCOO]- 315.10202 173.4
[M+CH3COO]- 329.11767 189.9
[M+Na-2H]- 291.07849 159.5
[M]+ 270.10327 159.6
[M]- 270.10437 159.6
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.