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

10
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 160.6
[M+Na]+ 290.08215 167.6
[M-H]- 266.08565 166.0
[M+NH4]+ 285.12675 178.2
[M+K]+ 306.05609 165.2
[M+H-H2O]+ 250.09019 153.6
[M+HCOO]- 312.09113 176.8
[M+CH3COO]- 326.10678 193.6
[M+Na-2H]- 288.06760 159.3
[M]+ 267.09238 163.9
[M]- 267.09348 163.9
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.