CID 51719

Alifedrine

Structural Information

Molecular Formula
C18H27NO2
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-14(18(21)16-10-6-3-7-11-16)19-13-12-17(20)15-8-4-2-5-9-15/h3,6-7,10-11,14-15,18-19,21H,2,4-5,8-9,12-13H2,1H3/t14-,18-/m0/s1
InChIKey
UEELVIXXTBPOCF-KSSFIOAISA-N
Compound name
1-cyclohexyl-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

289.2042 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.0
[M+Na]+ 312.19342 181.5
[M+NH4]+ 307.23802 180.1
[M+K]+ 328.16736 175.5
[M-H]- 288.19692 176.2
[M+Na-2H]- 310.17887 177.9
[M]+ 289.20365 174.7
[M]- 289.20475 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe