CID 3033192

60548-52-9

Structural Information

Molecular Formula
C15H19NO2
SMILES
C/C(=C(\C)/C(=O)NCC=C)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H19NO2/c1-5-10-16-15(17)12(3)11(2)13-6-8-14(18-4)9-7-13/h5-9H,1,10H2,2-4H3,(H,16,17)/b12-11-
InChIKey
ACGWJTQJPVCLTG-QXMHVHEDSA-N
Compound name
(Z)-3-(4-methoxyphenyl)-2-methyl-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 159.0
[M+Na]+ 268.130808 164.1
[M-H]- 244.134314 162.1
[M+NH4]+ 263.175413 176.0
[M+K]+ 284.104748 161.4
[M+H-H2O]+ 228.138850 152.3
[M+HCOO]- 290.139791 180.7
[M+CH3COO]- 304.155441 198.1
[M+Na-2H]- 266.116256 159.9
[M]+ 245.14104142 159.4
[M]- 245.14213858 159.4
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

No patent data available for this compound.