CID 6434247

2-(3,4,5-trimethoxycinnamoyl)isoxazolidine

Structural Information

Molecular Formula
C15H19NO5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCO2
InChI
InChI=1S/C15H19NO5/c1-18-12-9-11(10-13(19-2)15(12)20-3)5-6-14(17)16-7-4-8-21-16/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKey
HPAYMSPTGHIORM-AATRIKPKSA-N
Compound name
(E)-1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.2
[M+Na]+ 316.11552 173.1
[M-H]- 292.11902 172.1
[M+NH4]+ 311.16012 180.8
[M+K]+ 332.08946 172.5
[M+H-H2O]+ 276.12356 158.6
[M+HCOO]- 338.12450 186.4
[M+CH3COO]- 352.14015 200.1
[M+Na-2H]- 314.10097 167.0
[M]+ 293.12575 170.9
[M]- 293.12685 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.