CID 45237

63916-75-6

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]+ 416.258406 206.0
[M+Na]+ 438.240348 206.5
[M-H]- 414.243854 215.0
[M+NH4]+ 433.284953 215.0
[M+K]+ 454.214288 203.0
[M+H-H2O]+ 398.248390 195.3
[M+HCOO]- 460.249331 224.2
[M+CH3COO]- 474.264981 233.1
[M+Na-2H]- 436.225796 206.0
[M]+ 415.25058142 207.2
[M]- 415.25167858 207.2
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.