CID 3056425

Brn 0994369

Structural Information

Molecular Formula
C12H20N2O3S
SMILES
CCOC(=O)/C(=C/1\NC(=O)CS1)/CCCN(C)C
InChI
InChI=1S/C12H20N2O3S/c1-4-17-12(16)9(6-5-7-14(2)3)11-13-10(15)8-18-11/h4-8H2,1-3H3,(H,13,15)/b11-9+
InChIKey
OGHBBIUZUKSBTE-PKNBQFBNSA-N
Compound name
ethyl (2E)-5-(dimethylamino)-2-(4-oxo-1,3-thiazolidin-2-ylidene)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.11948 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12676 165.7
[M+Na]+ 295.10870 169.7
[M-H]- 271.11220 167.1
[M+NH4]+ 290.15330 182.3
[M+K]+ 311.08264 167.9
[M+H-H2O]+ 255.11674 158.8
[M+HCOO]- 317.11768 179.6
[M+CH3COO]- 331.13333 198.3
[M+Na-2H]- 293.09415 161.5
[M]+ 272.11893 167.1
[M]- 272.12003 167.1
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.