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]+ 316.227096 181.2
[M+Na]+ 338.209038 184.3
[M-H]- 314.212544 184.6
[M+NH4]+ 333.253643 195.9
[M+K]+ 354.182978 181.2
[M+H-H2O]+ 298.217080 173.5
[M+HCOO]- 360.218021 202.1
[M+CH3COO]- 374.233671 214.6
[M+Na-2H]- 336.194486 182.7
[M]+ 315.21927142 185.3
[M]- 315.22036858 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.