CID 21559735

52144-92-0

Structural Information

Molecular Formula
C33H35NO3
SMILES
CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C33H35NO3/c1-33(2,3)34(22-26-13-7-4-8-14-26)23-32(35)29-19-30(36-24-27-15-9-5-10-16-27)21-31(20-29)37-25-28-17-11-6-12-18-28/h4-21H,22-25H2,1-3H3
InChIKey
ZUUBYOGSHCHVLG-UHFFFAOYSA-N
Compound name
2-[benzyl(tert-butyl)amino]-1-[3,5-bis(phenylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

493.2617 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.26898 227.7
[M+Na]+ 516.25092 242.9
[M+NH4]+ 511.29552 234.7
[M+K]+ 532.22486 232.6
[M-H]- 492.25442 236.9
[M+Na-2H]- 514.23637 240.0
[M]+ 493.26115 232.8
[M]- 493.26225 232.8
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