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]+ 294.17000 169.4
[M+Na]+ 316.15194 175.1
[M-H]- 292.15544 173.9
[M+NH4]+ 311.19654 185.4
[M+K]+ 332.12588 174.4
[M+H-H2O]+ 276.15998 161.8
[M+HCOO]- 338.16092 193.5
[M+CH3COO]- 352.17657 209.6
[M+Na-2H]- 314.13739 170.9
[M]+ 293.16217 176.8
[M]- 293.16327 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.