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 181.2
[M+Na]+ 338.20904 184.3
[M-H]- 314.21254 184.6
[M+NH4]+ 333.25364 195.9
[M+K]+ 354.18298 181.2
[M+H-H2O]+ 298.21708 173.5
[M+HCOO]- 360.21802 202.1
[M+CH3COO]- 374.23367 214.6
[M+Na-2H]- 336.19449 182.7
[M]+ 315.21927 185.3
[M]- 315.22037 185.3
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

No patent data available for this compound.