CID 6434287

5-cinnamoyl-4,7-dimethoxy-6-piperidinoethoxybenzofuran oxalate

Structural Information

Molecular Formula
C26H29NO5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C26H29NO5/c1-29-23-20-13-17-31-24(20)26(30-2)25(32-18-16-27-14-7-4-8-15-27)22(23)21(28)12-11-19-9-5-3-6-10-19/h3,5-6,9-13,17H,4,7-8,14-16,18H2,1-2H3/b12-11+
InChIKey
FWOGJIQLQQFUTN-VAWYXSNFSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.20456 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21184 206.7
[M+Na]+ 458.19378 211.7
[M-H]- 434.19728 215.8
[M+NH4]+ 453.23838 215.5
[M+K]+ 474.16772 208.0
[M+H-H2O]+ 418.20182 196.1
[M+HCOO]- 480.20276 223.7
[M+CH3COO]- 494.21841 228.4
[M+Na-2H]- 456.17923 205.6
[M]+ 435.20401 211.2
[M]- 435.20511 211.2
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.