CID 6434307

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

Structural Information

Molecular Formula
C26H29NO7
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN4CCOCC4)OC)OC=C3)OC
InChI
InChI=1S/C26H29NO7/c1-29-19-7-4-18(5-8-19)6-9-21(28)22-23(30-2)20-10-14-33-24(20)26(31-3)25(22)34-17-13-27-11-15-32-16-12-27/h4-10,14H,11-13,15-17H2,1-3H3/b9-6+
InChIKey
NAUYZRHQOSJCDA-RMKNXTFCSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-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

467.1944 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.20168 212.7
[M+Na]+ 490.18362 218.2
[M-H]- 466.18712 222.9
[M+NH4]+ 485.22822 219.0
[M+K]+ 506.15756 217.2
[M+H-H2O]+ 450.19166 202.3
[M+HCOO]- 512.19260 229.0
[M+CH3COO]- 526.20825 234.5
[M+Na-2H]- 488.16907 211.8
[M]+ 467.19385 221.1
[M]- 467.19495 221.1
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.