CID 6433977

6-(2-diethylaminoethoxy)-4,7-dimethoxy-5-cinnamoylbenzofuran maleate

Structural Information

Molecular Formula
C25H29NO5
SMILES
CCN(CC)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C25H29NO5/c1-5-26(6-2)15-17-31-24-21(20(27)13-12-18-10-8-7-9-11-18)22(28-3)19-14-16-30-23(19)25(24)29-4/h7-14,16H,5-6,15,17H2,1-4H3/b13-12+
InChIKey
NKLOPQGKAJAUKD-OUKQBFOZSA-N
Compound name
(E)-1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.20456 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21184 206.2
[M+Na]+ 446.19378 212.7
[M-H]- 422.19728 215.8
[M+NH4]+ 441.23838 218.1
[M+K]+ 462.16772 210.7
[M+H-H2O]+ 406.20182 197.0
[M+HCOO]- 468.20276 229.5
[M+CH3COO]- 482.21841 233.9
[M+Na-2H]- 444.17923 206.2
[M]+ 423.20401 217.5
[M]- 423.20511 217.5
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.