CID 16076729

N'-[1-(1-adamantyl)ethyl]-n-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C24H42N2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C
InChI
InChI=1S/C24H42N2/c1-16(24-12-17-8-18(13-24)10-19(9-17)14-24)26-7-6-25-15-20-4-5-21-11-22(20)23(21,2)3/h16-22,25-26H,4-15H2,1-3H3/t16?,17?,18?,19?,20-,21-,22-,24?/m0/s1
InChIKey
SZGNLTQQWNGURG-GCDPMBMWSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.3348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.34208 212.5
[M+Na]+ 381.32402 205.7
[M-H]- 357.32752 203.9
[M+NH4]+ 376.36862 227.7
[M+K]+ 397.29796 203.0
[M+H-H2O]+ 341.33206 196.4
[M+HCOO]- 403.33300 205.4
[M+CH3COO]- 417.34865 211.8
[M+Na-2H]- 379.30947 215.5
[M]+ 358.33425 217.1
[M]- 358.33535 217.1
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.