CID 202105

4-pentenamide, 2-allyl-2-(p-isopropoxyphenyl)-

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
InChI
InChI=1S/C17H23NO2/c1-5-11-17(12-6-2,16(18)19)14-7-9-15(10-8-14)20-13(3)4/h5-10,13H,1-2,11-12H2,3-4H3,(H2,18,19)
InChIKey
DFCSVONLISKVTJ-UHFFFAOYSA-N
Compound name
2-(4-propan-2-yloxyphenyl)-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 167.8
[M+Na]+ 296.16210 177.1
[M+NH4]+ 291.20670 173.6
[M+K]+ 312.13604 171.6
[M-H]- 272.16560 168.2
[M+Na-2H]- 294.14755 171.4
[M]+ 273.17233 169.0
[M]- 273.17343 169.0
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.