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]+ 454.222426 213.3
[M+Na]+ 476.204368 219.8
[M-H]- 452.207874 223.0
[M+NH4]+ 471.248973 224.0
[M+K]+ 492.178308 218.5
[M+H-H2O]+ 436.212410 203.9
[M+HCOO]- 498.213351 236.2
[M+CH3COO]- 512.229001 240.2
[M+Na-2H]- 474.189816 212.3
[M]+ 453.21460142 226.7
[M]- 453.21569858 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.