CID 3025457

3-acetyl-2-((2-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C13H17NO3S/c1-10(15)14-7-8-18-13(14)9-17-12-6-4-3-5-11(12)16-2/h3-6,13H,7-9H2,1-2H3
InChIKey
CVMMLCCIQDARBK-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

267.09293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 160.8
[M+Na]+ 290.08215 171.2
[M+NH4]+ 285.12675 168.5
[M+K]+ 306.05609 165.3
[M-H]- 266.08565 163.0
[M+Na-2H]- 288.06760 165.5
[M]+ 267.09238 163.2
[M]- 267.09348 163.2
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