CID 16065403

931409-24-4

Structural Information

Molecular Formula
C28H32N2O3
SMILES
CC(C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)N3CC(C3)OC4=CC=CC(=C4)O
InChI
InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)
InChIKey
WGOJWDWKHJHXSV-UHFFFAOYSA-N
Compound name
5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

120
Patents

444.2413 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.24858 210.8
[M+Na]+ 467.23052 211.2
[M-H]- 443.23402 218.1
[M+NH4]+ 462.27512 209.6
[M+K]+ 483.20446 209.4
[M+H-H2O]+ 427.23856 193.7
[M+HCOO]- 489.23950 223.4
[M+CH3COO]- 503.25515 233.8
[M+Na-2H]- 465.21597 211.6
[M]+ 444.24075 216.7
[M]- 444.24185 216.7
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