CID 5311017

Benzphetamine

Structural Information

Molecular Formula
C17H21N
SMILES
C[C@@H](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKey
YXKTVDFXDRQTKV-HNNXBMFYSA-N
Compound name
(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

370
References

14537
Patents

239.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 158.1
[M+Na]+ 262.156618 162.4
[M-H]- 238.160124 165.2
[M+NH4]+ 257.201223 175.4
[M+K]+ 278.130558 159.5
[M+H-H2O]+ 222.164660 149.8
[M+HCOO]- 284.165601 181.9
[M+CH3COO]- 298.181251 200.3
[M+Na-2H]- 260.142066 162.9
[M]+ 239.16685142 158.1
[M]- 239.16794858 158.1
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