CID 197002

2-diethylaminoethyl diallylphenylacetate

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCN(CC)CCOC(=O)C(CC=C)(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C20H29NO2/c1-5-14-20(15-6-2,18-12-10-9-11-13-18)19(22)23-17-16-21(7-3)8-4/h5-6,9-13H,1-2,7-8,14-17H2,3-4H3
InChIKey
NSBJDSZHLUZFHI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenyl-2-prop-2-enylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 180.9
[M+Na]+ 338.20904 190.0
[M+NH4]+ 333.25364 186.7
[M+K]+ 354.18298 183.1
[M-H]- 314.21254 181.8
[M+Na-2H]- 336.19449 185.0
[M]+ 315.21927 182.2
[M]- 315.22037 182.2
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

No patent data available for this compound.