CID 5743585

Etozolin

Structural Information

Molecular Formula
C13H20N2O3S
SMILES
CCOC(=O)/C=C\1/N(C(=O)C(S1)N2CCCCC2)C
InChI
InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9-
InChIKey
ZCKKHYXUQFTBIK-KTKRTIGZSA-N
Compound name
ethyl (2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

35
References

1716
Patents

284.11948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.126756 167.3
[M+Na]+ 307.108698 172.7
[M-H]- 283.112204 170.5
[M+NH4]+ 302.153303 182.7
[M+K]+ 323.082638 169.7
[M+H-H2O]+ 267.116740 160.0
[M+HCOO]- 329.117681 178.1
[M+CH3COO]- 343.133331 196.5
[M+Na-2H]- 305.094146 162.4
[M]+ 284.11893142 165.8
[M]- 284.12002858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe