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 172.3
[M+Na]+ 328.15194 178.2
[M-H]- 304.15544 175.8
[M+NH4]+ 323.19654 187.3
[M+K]+ 344.12588 176.4
[M+H-H2O]+ 288.15998 165.3
[M+HCOO]- 350.16092 193.7
[M+CH3COO]- 364.17657 210.9
[M+Na-2H]- 326.13739 171.0
[M]+ 305.16217 177.2
[M]- 305.16327 177.2
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.