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 204.2
[M+Na]+ 452.12352 213.4
[M-H]- 428.12702 214.5
[M+NH4]+ 447.16812 217.2
[M+K]+ 468.09746 210.2
[M+H-H2O]+ 412.13156 196.4
[M+HCOO]- 474.13250 223.7
[M+CH3COO]- 488.14815 232.8
[M+Na-2H]- 450.10897 204.2
[M]+ 429.13375 217.8
[M]- 429.13485 217.8
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.