CID 67538

Acetamidoeugenol

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCN(CC)C(=O)COC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C16H23NO3/c1-5-8-13-9-10-14(15(11-13)19-4)20-12-16(18)17(6-2)7-3/h5,9-11H,1,6-8,12H2,2-4H3
InChIKey
AXNKGLDCLYLVLQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

527
Patents

277.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.6
[M+Na]+ 300.15702 172.4
[M-H]- 276.16052 171.2
[M+NH4]+ 295.20162 183.3
[M+K]+ 316.13096 171.1
[M+H-H2O]+ 260.16506 159.2
[M+HCOO]- 322.16600 190.4
[M+CH3COO]- 336.18165 207.6
[M+Na-2H]- 298.14247 168.0
[M]+ 277.16725 172.6
[M]- 277.16835 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe