CID 121089

Sch 1206

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCN(CC)CCOC(=O)C(C)(C)OC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C20H31NO4/c1-7-10-16-11-12-17(18(15-16)23-6)25-20(4,5)19(22)24-14-13-21(8-2)9-3/h7,11-12,15H,1,8-10,13-14H2,2-6H3
InChIKey
UDRIXSBZKFMYNG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(2-methoxy-4-prop-2-enylphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 187.1
[M+Na]+ 372.21452 191.5
[M-H]- 348.21802 191.2
[M+NH4]+ 367.25912 200.9
[M+K]+ 388.18846 190.4
[M+H-H2O]+ 332.22256 179.5
[M+HCOO]- 394.22350 208.2
[M+CH3COO]- 408.23915 221.9
[M+Na-2H]- 370.19997 187.6
[M]+ 349.22475 195.5
[M]- 349.22585 195.5
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.