CID 3033180

Brn 3001928

Structural Information

Molecular Formula
C17H23NO4
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C17H23NO4/c1-7-8-18-17(19)12(3)11(2)13-9-14(20-4)16(22-6)15(10-13)21-5/h7,9-10H,1,8H2,2-6H3,(H,18,19)/b12-11+
InChIKey
QOJAMCWOAVUSOF-VAWYXSNFSA-N
Compound name
(E)-2-methyl-N-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.3
[M+Na]+ 328.15194 182.7
[M+NH4]+ 323.19654 178.1
[M+K]+ 344.12588 178.0
[M-H]- 304.15544 173.3
[M+Na-2H]- 326.13739 175.7
[M]+ 305.16217 174.2
[M]- 305.16327 174.2
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.