CID 4619

Oxeladin

Structural Information

Molecular Formula
C20H33NO3
SMILES
CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC
InChI
InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKey
IQADUMSPOQKAAO-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

18
References

1002
Patents

335.24603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.25331 187.4
[M+Na]+ 358.23525 189.7
[M-H]- 334.23875 190.7
[M+NH4]+ 353.27985 201.3
[M+K]+ 374.20919 188.5
[M+H-H2O]+ 318.24329 179.3
[M+HCOO]- 380.24423 208.1
[M+CH3COO]- 394.25988 218.3
[M+Na-2H]- 356.22070 188.8
[M]+ 335.24548 194.3
[M]- 335.24658 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe