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]+ 331.31078 199.0
[M+Na]+ 353.29272 193.0
[M-H]- 329.29622 191.2
[M+NH4]+ 348.33732 214.0
[M+K]+ 369.26666 190.8
[M+H-H2O]+ 313.30076 184.0
[M+HCOO]- 375.30170 194.0
[M+CH3COO]- 389.31735 199.6
[M+Na-2H]- 351.27817 203.5
[M]+ 330.30295 204.0
[M]- 330.30405 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.