CID 48210

66859-65-2

Structural Information

Molecular Formula
C22H35NO4
SMILES
CCN(CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C
InChI
InChI=1S/C22H35NO4/c1-7-23(8-2)15-22(5,6)16-26-21(25)20(17(3)27-18(4)24)14-19-12-10-9-11-13-19/h9-13,17,20H,7-8,14-16H2,1-6H3
InChIKey
ZDYZZSMWVSCDAF-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 3-acetyloxy-2-benzylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.25662 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26390 193.8
[M+Na]+ 400.24584 200.5
[M+NH4]+ 395.29044 198.0
[M+K]+ 416.21978 196.9
[M-H]- 376.24934 193.2
[M+Na-2H]- 398.23129 195.8
[M]+ 377.25607 194.2
[M]- 377.25717 194.2
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.