CID 2838771

1-(2-adamantyl)-n-mesityl-2-piperidinecarboxamide hydrochloride

Structural Information

Molecular Formula
C25H36N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2CCCCN2C3C4CC5CC(C4)CC3C5)C
InChI
InChI=1S/C25H36N2O/c1-15-8-16(2)23(17(3)9-15)26-25(28)22-6-4-5-7-27(22)24-20-11-18-10-19(13-20)14-21(24)12-18/h8-9,18-22,24H,4-7,10-14H2,1-3H3,(H,26,28)
InChIKey
DAZNHXYKNYGEKB-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.28278 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29006 191.3
[M+Na]+ 403.27200 201.5
[M+NH4]+ 398.31660 202.0
[M+K]+ 419.24594 192.3
[M-H]- 379.27550 193.8
[M+Na-2H]- 401.25745 188.2
[M]+ 380.28223 193.4
[M]- 380.28333 193.4
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.