CID 16076803

N'-[1-(1-adamantyl)ethyl]-n-[2-(2-methoxyphenyl)ethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C23H36N2O
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNCCC4=CC=CC=C4OC
InChI
InChI=1S/C23H36N2O/c1-17(23-14-18-11-19(15-23)13-20(12-18)16-23)25-10-9-24-8-7-21-5-3-4-6-22(21)26-2/h3-6,17-20,24-25H,7-16H2,1-2H3
InChIKey
HJGKKLMZEZSAAS-UHFFFAOYSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.28278 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.29006 185.7
[M+Na]+ 379.27200 183.2
[M-H]- 355.27550 182.1
[M+NH4]+ 374.31660 204.3
[M+K]+ 395.24594 178.8
[M+H-H2O]+ 339.28004 176.4
[M+HCOO]- 401.28098 191.7
[M+CH3COO]- 415.29663 190.5
[M+Na-2H]- 377.25745 193.2
[M]+ 356.28223 185.7
[M]- 356.28333 185.7
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.