CID 3033180

60548-37-0

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]+ 306.169996 172.3
[M+Na]+ 328.151938 178.2
[M-H]- 304.155444 175.8
[M+NH4]+ 323.196543 187.3
[M+K]+ 344.125878 176.4
[M+H-H2O]+ 288.159980 165.3
[M+HCOO]- 350.160921 193.7
[M+CH3COO]- 364.176571 210.9
[M+Na-2H]- 326.137386 171.0
[M]+ 305.16217142 177.2
[M]- 305.16326858 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.