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

1
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

patents stripe