CID 45237

3-benzooxy-6-dimethylamino-4,4-diphenyl-5-methylhexane hydrochloride

Structural Information

Molecular Formula
C28H33NO2
SMILES
CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C28H33NO2/c1-5-26(31-27(30)23-15-9-6-10-16-23)28(22(2)21-29(3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26H,5,21H2,1-4H3
InChIKey
HPSCMIGMWZNILF-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25113 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25841 205.9
[M+Na]+ 438.24035 218.4
[M+NH4]+ 433.28495 213.1
[M+K]+ 454.21429 210.6
[M-H]- 414.24385 212.5
[M+Na-2H]- 436.22580 216.0
[M]+ 415.25058 209.7
[M]- 415.25168 209.7
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.