CID 1591527

16873-88-4

Structural Information

Molecular Formula
C14H17NO3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NCC=C)OC
InChI
InChI=1S/C14H17NO3/c1-4-9-15-14(16)8-6-11-5-7-12(17-2)13(10-11)18-3/h4-8,10H,1,9H2,2-3H3,(H,15,16)/b8-6+
InChIKey
BBCDSKLCWPXIKJ-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 157.8
[M+Na]+ 270.11007 168.6
[M+NH4]+ 265.15467 164.0
[M+K]+ 286.08401 162.2
[M-H]- 246.11357 158.8
[M+Na-2H]- 268.09552 162.4
[M]+ 247.12030 159.3
[M]- 247.12140 159.3
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

patents stripe