CID 6366207

Brn 2390000

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]+ 294.17000 169.3
[M+Na]+ 316.15194 175.7
[M-H]- 292.15544 172.7
[M+NH4]+ 311.19654 185.0
[M+K]+ 332.12588 173.7
[M+H-H2O]+ 276.15998 162.0
[M+HCOO]- 338.16092 192.8
[M+CH3COO]- 352.17657 206.9
[M+Na-2H]- 314.13739 170.8
[M]+ 293.16217 175.7
[M]- 293.16327 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.