CID 97223

2-allyl-2-(p-methoxyphenyl)-4-pent-1-enamide

Structural Information

Molecular Formula
C15H19NO2
SMILES
COC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
InChI
InChI=1S/C15H19NO2/c1-4-10-15(11-5-2,14(16)17)12-6-8-13(18-3)9-7-12/h4-9H,1-2,10-11H2,3H3,(H2,16,17)
InChIKey
KYFLHCWBEKQPOV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 158.3
[M+Na]+ 268.130808 164.2
[M-H]- 244.134314 161.0
[M+NH4]+ 263.175413 175.2
[M+K]+ 284.104748 160.6
[M+H-H2O]+ 228.138850 152.0
[M+HCOO]- 290.139791 179.8
[M+CH3COO]- 304.155441 197.4
[M+Na-2H]- 266.116256 161.4
[M]+ 245.14104142 158.7
[M]- 245.14213858 158.7
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.