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]+ 368.258406 194.7
[M+Na]+ 390.240348 196.0
[M-H]- 366.243854 201.0
[M+NH4]+ 385.284953 206.6
[M+K]+ 406.214288 193.8
[M+H-H2O]+ 350.248390 185.6
[M+HCOO]- 412.249331 213.2
[M+CH3COO]- 426.264981 225.5
[M+Na-2H]- 388.225796 194.3
[M]+ 367.25058142 197.5
[M]- 367.25167858 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.