CID 64598

N-(1-(1-adamantyl)ethyl)-2-phenylisopropylamine phosphate

Structural Information

Molecular Formula
C21H31N
SMILES
CC(CC1=CC=CC=C1)NCCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H31N/c1-16(9-17-5-3-2-4-6-17)22-8-7-21-13-18-10-19(14-21)12-20(11-18)15-21/h2-6,16,18-20,22H,7-15H2,1H3
InChIKey
JYIBHRYCLGOABJ-UHFFFAOYSA-N
Compound name
N-[2-(1-adamantyl)ethyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.24564 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.252916 172.8
[M+Na]+ 320.234858 171.3
[M-H]- 296.238364 169.7
[M+NH4]+ 315.279463 193.9
[M+K]+ 336.208798 166.1
[M+H-H2O]+ 280.242900 163.6
[M+HCOO]- 342.243841 178.5
[M+CH3COO]- 356.259491 178.7
[M+Na-2H]- 318.220306 180.7
[M]+ 297.24509142 170.8
[M]- 297.24618858 170.8
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.