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]+ 304.227096 178.2
[M+Na]+ 326.209038 181.4
[M-H]- 302.212544 181.7
[M+NH4]+ 321.253643 193.4
[M+K]+ 342.182978 179.1
[M+H-H2O]+ 286.217080 170.6
[M+HCOO]- 348.218021 199.2
[M+CH3COO]- 362.233671 212.5
[M+Na-2H]- 324.194486 180.1
[M]+ 303.21927142 182.6
[M]- 303.22036858 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.