CID 16076744

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

Structural Information

Molecular Formula
C22H38N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNC3C4CC5CC(C4)CC3C5)C
InChI
InChI=1S/C22H38N2/c1-22(2)19-4-3-16(20(22)12-19)13-23-5-6-24-21-17-8-14-7-15(10-17)11-18(21)9-14/h14-21,23-24H,3-13H2,1-2H3/t14?,15?,16-,17?,18?,19-,20-,21?/m0/s1
InChIKey
QCMKITUSIGQKGM-REJXFCLPSA-N
Compound name
N'-(2-adamantyl)-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

330.3035 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 199.0
[M+Na]+ 353.292718 193.0
[M-H]- 329.296224 191.2
[M+NH4]+ 348.337323 214.0
[M+K]+ 369.266658 190.8
[M+H-H2O]+ 313.300760 184.0
[M+HCOO]- 375.301701 194.0
[M+CH3COO]- 389.317351 199.6
[M+Na-2H]- 351.278166 203.5
[M]+ 330.30295142 204.0
[M]- 330.30404858 204.0
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.