CID 217442

Thiazolidine, 3-(1-(p-methoxybenzyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21NOS
SMILES
CCC(CC1=CC=C(C=C1)OC)N2CCSC2
InChI
InChI=1S/C14H21NOS/c1-3-13(15-8-9-17-11-15)10-12-4-6-14(16-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3
InChIKey
PBEREJMRVWSFLI-UHFFFAOYSA-N
Compound name
3-[1-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13438 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14166 158.8
[M+Na]+ 274.12360 169.6
[M+NH4]+ 269.16820 167.8
[M+K]+ 290.09754 162.3
[M-H]- 250.12710 162.2
[M+Na-2H]- 272.10905 164.5
[M]+ 251.13383 161.7
[M]- 251.13493 161.7
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.