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
4
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

literature stripe

Patent stripe

patents stripe