CID 74480

1762-50-1

Structural Information

Molecular Formula
C18H27N3O
SMILES
C1CCN(CC1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C18H27N3O/c19-17(22)18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22)
InChIKey
YKESGDAJVLVZAA-UHFFFAOYSA-N
Compound name
1-benzyl-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

52
Patents

301.21542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.5
[M+Na]+ 324.20464 176.4
[M-H]- 300.20814 179.6
[M+NH4]+ 319.24924 187.7
[M+K]+ 340.17858 172.2
[M+H-H2O]+ 284.21268 164.6
[M+HCOO]- 346.21362 188.3
[M+CH3COO]- 360.22927 182.7
[M+Na-2H]- 322.19009 176.4
[M]+ 301.21487 164.8
[M]- 301.21597 164.8
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