CID 3624962

Tribenzylamine n-oxide

Structural Information

Molecular Formula
C21H21NO
SMILES
C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)[O-]
InChI
InChI=1S/C21H21NO/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
KIAARAUZZLGXFK-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-1-phenylmethanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

303.16232 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 171.6
[M+Na]+ 326.15154 175.0
[M-H]- 302.15504 179.9
[M+NH4]+ 321.19614 184.8
[M+K]+ 342.12548 164.9
[M+H-H2O]+ 286.15958 166.7
[M+HCOO]- 348.16052 194.5
[M+CH3COO]- 362.17617 199.6
[M+Na-2H]- 324.13699 180.9
[M]+ 303.16177 168.1
[M]- 303.16287 168.1
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