CID 512348

1-[(2r)-3-(1-adamantyl)-2-phenyl-cyclopentyl]-n,n-dimethyl-methanamine

Structural Information

Molecular Formula
C24H35N
SMILES
CN(C)CC1CCC([C@H]1C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H35N/c1-25(2)16-21-8-9-22(23(21)20-6-4-3-5-7-20)24-13-17-10-18(14-24)12-19(11-17)15-24/h3-7,17-19,21-23H,8-16H2,1-2H3/t17?,18?,19?,21?,22?,23-,24?/m0/s1
InChIKey
IOEICCJZXSKQEL-CAFJOMCASA-N
Compound name
1-[(2R)-3-(1-adamantyl)-2-phenylcyclopentyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.27695 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.28423 180.1
[M+Na]+ 360.26617 178.6
[M-H]- 336.26967 181.2
[M+NH4]+ 355.31077 201.9
[M+K]+ 376.24011 173.0
[M+H-H2O]+ 320.27421 170.2
[M+HCOO]- 382.27515 185.5
[M+CH3COO]- 396.29080 186.1
[M+Na-2H]- 358.25162 182.6
[M]+ 337.27640 176.8
[M]- 337.27750 176.8
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.