CID 16076558

N'-[1-(1-adamantyl)ethyl]-n-[(2e)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C24H42N2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C24H42N2/c1-18(2)6-5-7-19(3)8-9-25-10-11-26-20(4)24-15-21-12-22(16-24)14-23(13-21)17-24/h6,8,20-23,25-26H,5,7,9-17H2,1-4H3/b19-8+
InChIKey
KDEQIPAHBOSJBC-UFWORHAWSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.3348 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.34208 198.4
[M+Na]+ 381.32402 193.6
[M-H]- 357.32752 190.5
[M+NH4]+ 376.36862 216.9
[M+K]+ 397.29796 188.5
[M+H-H2O]+ 341.33206 191.1
[M+HCOO]- 403.33300 200.5
[M+CH3COO]- 417.34865 231.5
[M+Na-2H]- 379.30947 200.7
[M]+ 358.33425 196.4
[M]- 358.33535 196.4
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.