CID 98061

84196-17-8

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCC(C(=O)N)NC1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H25N3O/c1-2-15(16(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3,(H2,17,20)
InChIKey
LQPQEIAICVVOIT-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.207046 167.6
[M+Na]+ 298.188988 169.1
[M-H]- 274.192494 170.7
[M+NH4]+ 293.233593 180.7
[M+K]+ 314.162928 165.7
[M+H-H2O]+ 258.197030 158.5
[M+HCOO]- 320.197971 185.5
[M+CH3COO]- 334.213621 205.1
[M+Na-2H]- 296.174436 168.4
[M]+ 275.19922142 161.0
[M]- 275.20031858 161.0
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.