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]+ 298.25292 172.8
[M+Na]+ 320.23486 171.3
[M-H]- 296.23836 169.7
[M+NH4]+ 315.27946 193.9
[M+K]+ 336.20880 166.1
[M+H-H2O]+ 280.24290 163.6
[M+HCOO]- 342.24384 178.5
[M+CH3COO]- 356.25949 178.7
[M+Na-2H]- 318.22031 180.7
[M]+ 297.24509 170.8
[M]- 297.24619 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.