CID 3051490

67466-01-7

Structural Information

Molecular Formula
C24H33NO2
SMILES
CCN(CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C24H33NO2/c1-5-25(6-2)18-24(3,4)19-27-23(26)22(21-15-11-8-12-16-21)17-20-13-9-7-10-14-20/h7-16,22H,5-6,17-19H2,1-4H3
InChIKey
PQLFWOCILFJCLU-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 2,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25841 195.4
[M+Na]+ 390.24035 196.9
[M-H]- 366.24385 201.6
[M+NH4]+ 385.28495 207.3
[M+K]+ 406.21429 194.1
[M+H-H2O]+ 350.24839 186.0
[M+HCOO]- 412.24933 214.8
[M+CH3COO]- 426.26498 224.7
[M+Na-2H]- 388.22580 196.0
[M]+ 367.25058 198.8
[M]- 367.25168 198.8
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.