CID 6434299

Benzofuran, 6-(2-diethylaminoethoxy)-4,7-dimethoxy-5-(p-hydroxycinnamoyl)-, hydrochloride

Structural Information

Molecular Formula
C25H29NO6
SMILES
CCN(CC)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C25H29NO6/c1-5-26(6-2)14-16-32-24-21(20(28)12-9-17-7-10-18(27)11-8-17)22(29-3)19-13-15-31-23(19)25(24)30-4/h7-13,15,27H,5-6,14,16H2,1-4H3/b12-9+
InChIKey
DSNQKSDNHITGLU-FMIVXFBMSA-N
Compound name
(E)-1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.206776 208.5
[M+Na]+ 462.188718 215.1
[M-H]- 438.192224 217.1
[M+NH4]+ 457.233323 219.2
[M+K]+ 478.162658 213.2
[M+H-H2O]+ 422.196760 199.6
[M+HCOO]- 484.197701 230.3
[M+CH3COO]- 498.213351 235.2
[M+Na-2H]- 460.174166 207.7
[M]+ 439.19895142 219.8
[M]- 439.20004858 219.8
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.