CID 65935

Moguisteine

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CCOC(=O)CC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3
InChIKey
WSYVIAQNTFPTBI-UHFFFAOYSA-N
Compound name
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

512
Patents

339.11404 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12132 179.2
[M+Na]+ 362.10326 184.3
[M-H]- 338.10676 184.1
[M+NH4]+ 357.14786 193.5
[M+K]+ 378.07720 182.4
[M+H-H2O]+ 322.11130 171.6
[M+HCOO]- 384.11224 193.9
[M+CH3COO]- 398.12789 206.1
[M+Na-2H]- 360.08871 175.9
[M]+ 339.11349 185.0
[M]- 339.11459 185.0
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.