CID 3074748

3-(2,2-dimethyl-1-oxopropyl)-2-((2-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C16H23NO3S
SMILES
CC(C)(C)C(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C16H23NO3S/c1-16(2,3)15(18)17-9-10-21-14(17)11-20-13-8-6-5-7-12(13)19-4/h5-8,14H,9-11H2,1-4H3
InChIKey
DGIAVKPLICCVLK-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.13986 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14714 174.6
[M+Na]+ 332.12908 180.7
[M-H]- 308.13258 179.9
[M+NH4]+ 327.17368 190.7
[M+K]+ 348.10302 178.2
[M+H-H2O]+ 292.13712 167.8
[M+HCOO]- 354.13806 188.3
[M+CH3COO]- 368.15371 202.3
[M+Na-2H]- 330.11453 172.9
[M]+ 309.13931 178.5
[M]- 309.14041 178.5
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

No patent data available for this compound.