CID 217434

3-(4-(4-ethyl-2-methoxyphenoxy)butyl)thiazolidine hydrochloride

Structural Information

Molecular Formula
C16H25NO2S
SMILES
CCC1=CC(=C(C=C1)OCCCCN2CCSC2)OC
InChI
InChI=1S/C16H25NO2S/c1-3-14-6-7-15(16(12-14)18-2)19-10-5-4-8-17-9-11-20-13-17/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKey
AXYCMYKREQIXNH-UHFFFAOYSA-N
Compound name
3-[4-(4-ethyl-2-methoxyphenoxy)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1606 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16788 170.6
[M+Na]+ 318.14982 176.5
[M-H]- 294.15332 175.4
[M+NH4]+ 313.19442 187.3
[M+K]+ 334.12376 173.0
[M+H-H2O]+ 278.15786 162.9
[M+HCOO]- 340.15880 186.5
[M+CH3COO]- 354.17445 201.2
[M+Na-2H]- 316.13527 168.8
[M]+ 295.16005 174.9
[M]- 295.16115 174.9
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.