CID 410840

N-benzyl-alpha-phenylphenethylamine

Structural Information

Molecular Formula
C21H21N
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2
InChIKey
LUPHIKYFQYDIDI-UHFFFAOYSA-N
Compound name
N-benzyl-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1674 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.1
[M+Na]+ 310.15662 172.8
[M-H]- 286.16012 177.5
[M+NH4]+ 305.20122 183.1
[M+K]+ 326.13056 166.8
[M+H-H2O]+ 270.16466 159.5
[M+HCOO]- 332.16560 192.3
[M+CH3COO]- 346.18125 179.5
[M+Na-2H]- 308.14207 175.1
[M]+ 287.16685 166.4
[M]- 287.16795 166.4
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

No patent data available for this compound.