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

60
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.