CID 70574

1-benzyl-4-(propylamino)piperidine-4-carboxamide

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCCNC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C16H25N3O/c1-2-10-18-16(15(17)20)8-11-19(12-9-16)13-14-6-4-3-5-7-14/h3-7,18H,2,8-13H2,1H3,(H2,17,20)
InChIKey
SXXNRWUIGQVITE-UHFFFAOYSA-N
Compound name
1-benzyl-4-(propylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

275.19977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 167.0
[M+Na]+ 298.18899 169.8
[M-H]- 274.19249 170.4
[M+NH4]+ 293.23359 182.3
[M+K]+ 314.16293 166.3
[M+H-H2O]+ 258.19703 158.5
[M+HCOO]- 320.19797 185.9
[M+CH3COO]- 334.21362 203.7
[M+Na-2H]- 296.17444 170.1
[M]+ 275.19922 161.4
[M]- 275.20032 161.4
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