CID 215963

Thiazolidine, 3-(4-(p-methoxyphenyl)butyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21NOS
SMILES
COC1=CC=C(C=C1)CCCCN2CCSC2
InChI
InChI=1S/C14H21NOS/c1-16-14-7-5-13(6-8-14)4-2-3-9-15-10-11-17-12-15/h5-8H,2-4,9-12H2,1H3
InChIKey
KEQIIBSLQDVTNE-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13438 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14166 158.7
[M+Na]+ 274.12360 164.7
[M-H]- 250.12710 163.4
[M+NH4]+ 269.16820 176.9
[M+K]+ 290.09754 161.2
[M+H-H2O]+ 234.13164 151.2
[M+HCOO]- 296.13258 175.0
[M+CH3COO]- 310.14823 192.2
[M+Na-2H]- 272.10905 158.3
[M]+ 251.13383 160.5
[M]- 251.13493 160.5
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.