CID 467468

Chembl56004

Structural Information

Molecular Formula
C22H29ClN2O
SMILES
C1CCN(C(C1)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H29ClN2O/c23-18-4-6-19(7-5-18)24-21(26)25-8-2-1-3-20(25)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17,20H,1-3,8-14H2,(H,24,26)
InChIKey
PCDXWSAVBFDKCU-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-N-(4-chlorophenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.19684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20412 183.1
[M+Na]+ 395.18606 182.3
[M-H]- 371.18956 181.1
[M+NH4]+ 390.23066 200.4
[M+K]+ 411.16000 176.1
[M+H-H2O]+ 355.19410 172.5
[M+HCOO]- 417.19504 180.4
[M+CH3COO]- 431.21069 187.5
[M+Na-2H]- 393.17151 188.5
[M]+ 372.19629 179.1
[M]- 372.19739 179.1
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.