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
2
Annotation Hits

25
References

476
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

literature stripe

Patent stripe

patents stripe