CID 202847

2-(diethylamino)ethyl 2-phenylpent-4-enoate

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCN(CC)CCOC(=O)C(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C17H25NO2/c1-4-10-16(15-11-8-7-9-12-15)17(19)20-14-13-18(5-2)6-3/h4,7-9,11-12,16H,1,5-6,10,13-14H2,2-3H3
InChIKey
CGAQJNWHSPVALE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 170.1
[M+Na]+ 298.177758 173.4
[M-H]- 274.181264 173.7
[M+NH4]+ 293.222363 186.2
[M+K]+ 314.151698 171.6
[M+H-H2O]+ 258.185800 162.3
[M+HCOO]- 320.186741 192.3
[M+CH3COO]- 334.202391 207.0
[M+Na-2H]- 296.163206 170.9
[M]+ 275.18799142 173.5
[M]- 275.18908858 173.5
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.