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 218.0
[M+Na]+ 490.21999 224.1
[M-H]- 466.22349 227.4
[M+NH4]+ 485.26459 228.1
[M+K]+ 506.19393 222.5
[M+H-H2O]+ 450.22803 208.4
[M+HCOO]- 512.22897 240.5
[M+CH3COO]- 526.24462 243.1
[M+Na-2H]- 488.20544 216.5
[M]+ 467.23022 231.7
[M]- 467.23132 231.7
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.