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 168.8
[M+Na]+ 307.10870 175.3
[M-H]- 283.11220 172.8
[M+NH4]+ 302.15330 186.3
[M+K]+ 323.08264 172.8
[M+H-H2O]+ 267.11674 162.3
[M+HCOO]- 329.11768 182.0
[M+CH3COO]- 343.13333 196.4
[M+Na-2H]- 305.09415 162.4
[M]+ 284.11893 169.8
[M]- 284.12003 169.8
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.