CID 25134250

N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide

Structural Information

Molecular Formula
C18H28N2O3S
SMILES
COC1=C(C(=CC=C1)OC)CN2CCC(CC2)NC(=O)CCCS
InChI
InChI=1S/C18H28N2O3S/c1-22-16-5-3-6-17(23-2)15(16)13-20-10-8-14(9-11-20)19-18(21)7-4-12-24/h3,5-6,14,24H,4,7-13H2,1-2H3,(H,19,21)
InChIKey
MUDVORCZGBAHNA-UHFFFAOYSA-N
Compound name
N-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-4-sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.18207 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18935 184.1
[M+Na]+ 375.17129 187.4
[M-H]- 351.17479 188.0
[M+NH4]+ 370.21589 195.8
[M+K]+ 391.14523 183.7
[M+H-H2O]+ 335.17933 175.1
[M+HCOO]- 397.18027 197.1
[M+CH3COO]- 411.19592 215.2
[M+Na-2H]- 373.15674 182.0
[M]+ 352.18152 186.3
[M]- 352.18262 186.3
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