CID 44678

5-acetoxy-n,n-dimethyl-4,4-diphenylheptylamine hydrochloride

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCC(C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C23H31NO2/c1-5-22(26-19(2)25)23(17-12-18-24(3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,22H,5,12,17-18H2,1-4H3
InChIKey
VURRJZXPXCIYGN-UHFFFAOYSA-N
Compound name
[7-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 190.0
[M+Na]+ 376.22469 201.1
[M+NH4]+ 371.26929 197.0
[M+K]+ 392.19863 194.0
[M-H]- 352.22819 194.1
[M+Na-2H]- 374.21014 197.6
[M]+ 353.23492 192.8
[M]- 353.23602 192.8
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.