CID 6447373

Brn 1009906

Structural Information

Molecular Formula
C13H20N2O3S
SMILES
CCN1/C(=C/C(=O)OCC)/SC(C1=O)N2CCCC2
InChI
InChI=1S/C13H20N2O3S/c1-3-15-10(9-11(16)18-4-2)19-13(12(15)17)14-7-5-6-8-14/h9,13H,3-8H2,1-2H3/b10-9-
InChIKey
MBTUBMPFUUWIOC-KTKRTIGZSA-N
Compound name
ethyl (2Z)-2-(3-ethyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12676 169.9
[M+Na]+ 307.10870 176.7
[M+NH4]+ 302.15330 175.7
[M+K]+ 323.08264 173.6
[M-H]- 283.11220 169.5
[M+Na-2H]- 305.09415 170.0
[M]+ 284.11893 170.6
[M]- 284.12003 170.6
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.