CID 124488

Z 300

Structural Information

Molecular Formula
C19H30N2O3S
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCCO
InChI
InChI=1S/C19H30N2O3S/c22-11-13-25-16-19(23)20-8-5-12-24-18-7-4-6-17(14-18)15-21-9-2-1-3-10-21/h4,6-7,14,22H,1-3,5,8-13,15-16H2,(H,20,23)
InChIKey
ZRVDLLKTYZXNAD-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

15
Patents

366.19772 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20500 187.8
[M+Na]+ 389.18694 195.8
[M+NH4]+ 384.23154 193.8
[M+K]+ 405.16088 187.1
[M-H]- 365.19044 190.1
[M+Na-2H]- 387.17239 191.7
[M]+ 366.19717 189.7
[M]- 366.19827 189.7
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

patents stripe