CID 6434305

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

Structural Information

Molecular Formula
C28H35NO6
SMILES
CC(C)N(CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC)C(C)C
InChI
InChI=1S/C28H35NO6/c1-18(2)29(19(3)4)15-17-35-27-24(23(30)13-10-20-8-11-21(31-5)12-9-20)25(32-6)22-14-16-34-26(22)28(27)33-7/h8-14,16,18-19H,15,17H2,1-7H3/b13-10+
InChIKey
ISSVUNUHAQSKNB-JLHYYAGUSA-N
Compound name
(E)-1-[6-[2-[di(propan-2-yl)amino]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

481.24643 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.25371 222.6
[M+Na]+ 504.23565 227.6
[M-H]- 480.23915 232.0
[M+NH4]+ 499.28025 231.9
[M+K]+ 520.20959 227.1
[M+H-H2O]+ 464.24369 213.3
[M+HCOO]- 526.24463 242.8
[M+CH3COO]- 540.26028 247.8
[M+Na-2H]- 502.22110 218.4
[M]+ 481.24588 235.5
[M]- 481.24698 235.5
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.