CID 443970

Lefetamine

Structural Information

Molecular Formula
C16H19N
SMILES
CN(C)[C@H](CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m1/s1
InChIKey
YEJZJVJJPVZXGX-MRXNPFEDSA-N
Compound name
(1R)-N,N-dimethyl-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

3298
Patents

225.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 153.4
[M+Na]+ 248.140968 158.1
[M-H]- 224.144474 160.7
[M+NH4]+ 243.185573 171.3
[M+K]+ 264.114908 155.5
[M+H-H2O]+ 208.149010 145.3
[M+HCOO]- 270.149951 177.6
[M+CH3COO]- 284.165601 197.3
[M+Na-2H]- 246.126416 158.7
[M]+ 225.15120142 153.0
[M]- 225.15229858 153.0
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.