CID 16076263

N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanamine

Structural Information

Molecular Formula
C22H40N2
SMILES
CC1(CC2CC(C1)(CN2CCNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C)C
InChI
InChI=1S/C22H40N2/c1-20(2)11-18-12-22(5,14-20)15-24(18)9-8-23-13-16-6-7-17-10-19(16)21(17,3)4/h16-19,23H,6-15H2,1-5H3/t16-,17-,18?,19-,22?/m0/s1
InChIKey
KAXVPCCEAGVLNO-JPKYOWNKSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.31915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 198.6
[M+Na]+ 355.30837 200.8
[M-H]- 331.31187 197.0
[M+NH4]+ 350.35297 217.3
[M+K]+ 371.28231 197.3
[M+H-H2O]+ 315.31641 187.0
[M+HCOO]- 377.31735 202.7
[M+CH3COO]- 391.33300 204.3
[M+Na-2H]- 353.29382 200.4
[M]+ 332.31860 206.5
[M]- 332.31970 206.5
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.