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]+ 368.258406 195.4
[M+Na]+ 390.240348 196.9
[M-H]- 366.243854 201.6
[M+NH4]+ 385.284953 207.3
[M+K]+ 406.214288 194.1
[M+H-H2O]+ 350.248390 186.0
[M+HCOO]- 412.249331 214.8
[M+CH3COO]- 426.264981 224.7
[M+Na-2H]- 388.225796 196.0
[M]+ 367.25058142 198.8
[M]- 367.25167858 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.