CID 44680

63765-83-3

Structural Information

Molecular Formula
C24H33NO2
SMILES
CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C)OC(=O)CC
InChI
InChI=1S/C24H33NO2/c1-6-22(27-23(26)7-2)24(19(3)18-25(4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22H,6-7,18H2,1-5H3
InChIKey
VONBPXAUFMFWKC-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25841 194.7
[M+Na]+ 390.24035 196.0
[M-H]- 366.24385 201.0
[M+NH4]+ 385.28495 206.6
[M+K]+ 406.21429 193.8
[M+H-H2O]+ 350.24839 185.6
[M+HCOO]- 412.24933 213.2
[M+CH3COO]- 426.26498 225.5
[M+Na-2H]- 388.22580 194.3
[M]+ 367.25058 197.5
[M]- 367.25168 197.5
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.