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]+ 246.14887 159.0
[M+Na]+ 268.13081 164.1
[M-H]- 244.13431 162.1
[M+NH4]+ 263.17541 176.0
[M+K]+ 284.10475 161.4
[M+H-H2O]+ 228.13885 152.3
[M+HCOO]- 290.13979 180.7
[M+CH3COO]- 304.15544 198.1
[M+Na-2H]- 266.11626 159.9
[M]+ 245.14104 159.4
[M]- 245.14214 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.