CID 3051418

67465-29-6

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCN(CC)CC(C)(C)COC(=O)C(C)(C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C20H31NO4/c1-7-21(8-2)14-19(4,5)15-24-18(23)20(6,25-16(3)22)17-12-10-9-11-13-17/h9-13H,7-8,14-15H2,1-6H3
InChIKey
HPFLOIJWUNRAQX-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 2-acetyloxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 186.5
[M+Na]+ 372.21452 189.3
[M-H]- 348.21802 190.3
[M+NH4]+ 367.25912 199.9
[M+K]+ 388.18846 189.3
[M+H-H2O]+ 332.22256 179.3
[M+HCOO]- 394.22350 205.2
[M+CH3COO]- 408.23915 220.1
[M+Na-2H]- 370.19997 188.3
[M]+ 349.22475 193.0
[M]- 349.22585 193.0
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.