CID 6366207

(e)-n-butyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1c)

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCCCNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
InChIKey
LUEZYPDVMFFBEP-BQYQJAHWSA-N
Compound name
(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 169.3
[M+Na]+ 316.151938 175.7
[M-H]- 292.155444 172.7
[M+NH4]+ 311.196543 185.0
[M+K]+ 332.125878 173.7
[M+H-H2O]+ 276.159980 162.0
[M+HCOO]- 338.160921 192.8
[M+CH3COO]- 352.176571 206.9
[M+Na-2H]- 314.137386 170.8
[M]+ 293.16217142 175.7
[M]- 293.16326858 175.7
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.