CID 85751

14557-50-7

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCN(CC)CCC(CC=C)(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C19H29NO2/c1-5-14-19(18(21)22-8-4,15-16-20(6-2)7-3)17-12-10-9-11-13-17/h5,9-13H,1,6-8,14-16H2,2-4H3
InChIKey
QSZYQIVLOSDTSM-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(diethylamino)ethyl]-2-phenylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 178.2
[M+Na]+ 326.20904 181.4
[M-H]- 302.21254 181.7
[M+NH4]+ 321.25364 193.4
[M+K]+ 342.18298 179.1
[M+H-H2O]+ 286.21708 170.6
[M+HCOO]- 348.21802 199.2
[M+CH3COO]- 362.23367 212.5
[M+Na-2H]- 324.19449 180.1
[M]+ 303.21927 182.6
[M]- 303.22037 182.6
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.