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]+ 310.147136 174.6
[M+Na]+ 332.129078 180.7
[M-H]- 308.132584 179.9
[M+NH4]+ 327.173683 190.7
[M+K]+ 348.103018 178.2
[M+H-H2O]+ 292.137120 167.8
[M+HCOO]- 354.138061 188.3
[M+CH3COO]- 368.153711 202.3
[M+Na-2H]- 330.114526 172.9
[M]+ 309.13931142 178.5
[M]- 309.14040858 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.