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

2
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

literature stripe

Patent stripe

patents stripe