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 196.9
[M+Na]+ 400.24584 197.9
[M-H]- 376.24934 200.0
[M+NH4]+ 395.29044 208.7
[M+K]+ 416.21978 197.9
[M+H-H2O]+ 360.25388 188.9
[M+HCOO]- 422.25482 214.4
[M+CH3COO]- 436.27047 227.2
[M+Na-2H]- 398.23129 194.1
[M]+ 377.25607 203.3
[M]- 377.25717 203.3
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.