CID 16076796

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

Structural Information

Molecular Formula
C22H34N2O
SMILES
COC1=CC=CC=C1CCNCCNCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H34N2O/c1-25-21-5-3-2-4-20(21)6-7-23-8-9-24-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,17-19,23-24H,6-16H2,1H3
InChIKey
FEMAZIZJINRJQX-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-[2-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.26712 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 179.5
[M+Na]+ 365.25634 177.9
[M-H]- 341.25984 176.2
[M+NH4]+ 360.30094 198.8
[M+K]+ 381.23028 173.1
[M+H-H2O]+ 325.26438 170.1
[M+HCOO]- 387.26532 187.0
[M+CH3COO]- 401.28097 185.0
[M+Na-2H]- 363.24179 188.8
[M]+ 342.26657 179.9
[M]- 342.26767 179.9
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.