CID 6434303

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

Structural Information

Molecular Formula
C26H31NO6
SMILES
CCN(CC)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC
InChI
InChI=1S/C26H31NO6/c1-6-27(7-2)15-17-33-25-22(21(28)13-10-18-8-11-19(29-3)12-9-18)23(30-4)20-14-16-32-24(20)26(25)31-5/h8-14,16H,6-7,15,17H2,1-5H3/b13-10+
InChIKey
KIPCBKAAGMPNBT-JLHYYAGUSA-N
Compound name
(E)-1-[6-[2-(diethylamino)ethoxy]-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

453.21515 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22243 213.3
[M+Na]+ 476.20437 219.8
[M-H]- 452.20787 223.0
[M+NH4]+ 471.24897 224.0
[M+K]+ 492.17831 218.5
[M+H-H2O]+ 436.21241 203.9
[M+HCOO]- 498.21335 236.2
[M+CH3COO]- 512.22900 240.2
[M+Na-2H]- 474.18982 212.3
[M]+ 453.21460 226.7
[M]- 453.21570 226.7
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.