CID 16076553

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

Structural Information

Molecular Formula
C23H40N2
SMILES
CC(=CCC/C(=C/CNCCNCC12CC3CC(C1)CC(C3)C2)/C)C
InChI
InChI=1S/C23H40N2/c1-18(2)5-4-6-19(3)7-8-24-9-10-25-17-23-14-20-11-21(15-23)13-22(12-20)16-23/h5,7,20-22,24-25H,4,6,8-17H2,1-3H3/b19-7+
InChIKey
BGBZTKUVHHKIQP-FBCYGCLPSA-N
Compound name
N'-(1-adamantylmethyl)-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

344.31915 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.32643 192.6
[M+Na]+ 367.30837 188.5
[M-H]- 343.31187 185.0
[M+NH4]+ 362.35297 211.8
[M+K]+ 383.28231 183.1
[M+H-H2O]+ 327.31641 185.1
[M+HCOO]- 389.31735 196.1
[M+CH3COO]- 403.33300 227.8
[M+Na-2H]- 365.29382 196.6
[M]+ 344.31860 190.9
[M]- 344.31970 190.9
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.