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]+ 246.14887 158.3
[M+Na]+ 268.13081 164.2
[M-H]- 244.13431 161.0
[M+NH4]+ 263.17541 175.2
[M+K]+ 284.10475 160.6
[M+H-H2O]+ 228.13885 152.0
[M+HCOO]- 290.13979 179.8
[M+CH3COO]- 304.15544 197.4
[M+Na-2H]- 266.11626 161.4
[M]+ 245.14104 158.7
[M]- 245.14214 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.