CID 25134249

N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide

Structural Information

Molecular Formula
C16H24N2OS
SMILES
C1CN(CCC1NC(=O)CCCS)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
InChIKey
XNIXPLIQGKQSIE-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.16095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 168.9
[M+Na]+ 315.15017 171.9
[M-H]- 291.15367 172.6
[M+NH4]+ 310.19477 182.9
[M+K]+ 331.12411 167.4
[M+H-H2O]+ 275.15821 160.3
[M+HCOO]- 337.15915 182.4
[M+CH3COO]- 351.17480 202.7
[M+Na-2H]- 313.13562 168.9
[M]+ 292.16040 166.9
[M]- 292.16150 166.9
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.