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]+ 440.20678 208.5
[M+Na]+ 462.18872 215.1
[M-H]- 438.19222 217.1
[M+NH4]+ 457.23332 219.2
[M+K]+ 478.16266 213.2
[M+H-H2O]+ 422.19676 199.6
[M+HCOO]- 484.19770 230.3
[M+CH3COO]- 498.21335 235.2
[M+Na-2H]- 460.17417 207.7
[M]+ 439.19895 219.8
[M]- 439.20005 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.