CID 6434315

Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-butoxycinnamoyl)-, oxalate

Structural Information

Molecular Formula
C27H33NO6
SMILES
CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN(C)C)OC)OC=C3)OC
InChI
InChI=1S/C27H33NO6/c1-6-7-16-32-20-11-8-19(9-12-20)10-13-22(29)23-24(30-4)21-14-17-33-25(21)27(31-5)26(23)34-18-15-28(2)3/h8-14,17H,6-7,15-16,18H2,1-5H3/b13-10+
InChIKey
PFFLGCBQXIJUIN-JLHYYAGUSA-N
Compound name
(E)-3-(4-butoxyphenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.23077 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.23805 215.6
[M+Na]+ 490.21999 227.5
[M+NH4]+ 485.26459 220.4
[M+K]+ 506.19393 222.4
[M-H]- 466.22349 220.1
[M+Na-2H]- 488.20544 219.3
[M]+ 467.23022 218.5
[M]- 467.23132 218.5
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.