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]+ 430.141576 204.2
[M+Na]+ 452.123518 213.4
[M-H]- 428.127024 214.5
[M+NH4]+ 447.168123 217.2
[M+K]+ 468.097458 210.2
[M+H-H2O]+ 412.131560 196.4
[M+HCOO]- 474.132501 223.7
[M+CH3COO]- 488.148151 232.8
[M+Na-2H]- 450.108966 204.2
[M]+ 429.13375142 217.8
[M]- 429.13484858 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.