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]+ 274.180156 167.3
[M+Na]+ 296.162098 172.1
[M-H]- 272.165604 169.7
[M+NH4]+ 291.206703 183.0
[M+K]+ 312.136038 168.6
[M+H-H2O]+ 256.170140 160.8
[M+HCOO]- 318.171081 187.1
[M+CH3COO]- 332.186731 204.3
[M+Na-2H]- 294.147546 168.2
[M]+ 273.17233142 167.8
[M]- 273.17342858 167.8
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.