CID 6434317

Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(o-hydroxycinnamoyl)-, hydrochloride

Structural Information

Molecular Formula
C23H25NO6
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=CC=C3O)OC)OC
InChI
InChI=1S/C23H25NO6/c1-24(2)12-14-30-22-19(18(26)10-9-15-7-5-6-8-17(15)25)20(27-3)16-11-13-29-21(16)23(22)28-4/h5-11,13,25H,12,14H2,1-4H3/b10-9+
InChIKey
XBABGSJZGNFQML-MDZDMXLPSA-N
Compound name
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.175456 199.1
[M+Na]+ 434.157398 206.6
[M-H]- 410.160904 208.1
[M+NH4]+ 429.202003 211.0
[M+K]+ 450.131338 205.2
[M+H-H2O]+ 394.165440 190.6
[M+HCOO]- 456.166381 221.7
[M+CH3COO]- 470.182031 229.4
[M+Na-2H]- 432.142846 199.4
[M]+ 411.16763142 209.8
[M]- 411.16872858 209.8
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.