CID 6434285

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

Structural Information

Molecular Formula
C23H24ClNO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C23H24ClNO5/c1-25(2)12-14-30-22-19(18(26)10-7-15-5-8-16(24)9-6-15)20(27-3)17-11-13-29-21(17)23(22)28-4/h5-11,13H,12,14H2,1-4H3/b10-7+
InChIKey
ZVPUIHHYSAPOLZ-JXMROGBWSA-N
Compound name
(E)-3-(4-chlorophenyl)-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

429.1343 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14158 201.1
[M+Na]+ 452.12352 215.2
[M+NH4]+ 447.16812 207.5
[M+K]+ 468.09746 209.5
[M-H]- 428.12702 206.3
[M+Na-2H]- 450.10897 206.3
[M]+ 429.13375 204.9
[M]- 429.13485 204.9
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.