CID 44816

3-p-aminobenzoxy-4,4-diphenyl-6-morpholinohexane hydrochloride

Structural Information

Molecular Formula
C29H34N2O3
SMILES
CCC(C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C29H34N2O3/c1-2-27(34-28(32)23-13-15-26(30)16-14-23)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)17-18-31-19-21-33-22-20-31/h3-16,27H,2,17-22,30H2,1H3
InChIKey
OKOKUMWBHLCDMO-UHFFFAOYSA-N
Compound name
(6-morpholin-4-yl-4,4-diphenylhexan-3-yl) 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25696 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 216.3
[M+Na]+ 481.24618 228.6
[M+NH4]+ 476.29078 222.4
[M+K]+ 497.22012 220.9
[M-H]- 457.24968 224.8
[M+Na-2H]- 479.23163 225.4
[M]+ 458.25641 220.5
[M]- 458.25751 220.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.