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 192.2
[M+Na]+ 403.27200 190.2
[M-H]- 379.27550 190.4
[M+NH4]+ 398.31660 207.0
[M+K]+ 419.24594 184.8
[M+H-H2O]+ 363.28004 181.5
[M+HCOO]- 425.28098 192.3
[M+CH3COO]- 439.29663 196.0
[M+Na-2H]- 401.25745 193.7
[M]+ 380.28223 187.4
[M]- 380.28333 187.4
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.