CID 56567

Brn 2477117

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCN(C(=O)COC1=C(C=C(C=C1)CC=C)OC)OCC
InChI
InChI=1S/C16H23NO4/c1-5-8-13-9-10-14(15(11-13)19-4)20-12-16(18)17(6-2)21-7-3/h5,9-11H,1,6-8,12H2,2-4H3
InChIKey
GRXUKZZDEMYTHV-UHFFFAOYSA-N
Compound name
N-ethoxy-N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 169.4
[M+Na]+ 316.151938 175.1
[M-H]- 292.155444 173.9
[M+NH4]+ 311.196543 185.4
[M+K]+ 332.125878 174.4
[M+H-H2O]+ 276.159980 161.8
[M+HCOO]- 338.160921 193.5
[M+CH3COO]- 352.176571 209.6
[M+Na-2H]- 314.137386 170.9
[M]+ 293.16217142 176.8
[M]- 293.16326858 176.8
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.