CID 6434309

Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminopropoxy)-5-(p-methoxycinnamoyl)-, oxalate

Structural Information

Molecular Formula
C25H29NO6
SMILES
CN(C)CCCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC
InChI
InChI=1S/C25H29NO6/c1-26(2)14-6-15-31-24-21(20(27)12-9-17-7-10-18(28-3)11-8-17)22(29-4)19-13-16-32-23(19)25(24)30-5/h7-13,16H,6,14-15H2,1-5H3/b12-9+
InChIKey
OCAUTTRHSUXRRJ-FMIVXFBMSA-N
Compound name
(E)-1-[6-[3-(dimethylamino)propoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)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 215.6
[M-H]- 438.192224 218.5
[M+NH4]+ 457.233323 219.9
[M+K]+ 478.162658 214.5
[M+H-H2O]+ 422.196760 199.4
[M+HCOO]- 484.197701 231.9
[M+CH3COO]- 498.213351 237.4
[M+Na-2H]- 460.174166 208.2
[M]+ 439.19895142 221.7
[M]- 439.20004858 221.7
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.