CID 979551

Ethyl 6-bromo-2-methyl-5-[(4-methylphenyl)methoxy]-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H19BrO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=C(C=C3)C)Br)C
InChI
InChI=1S/C20H19BrO4/c1-4-23-20(22)19-13(3)25-17-10-16(21)18(9-15(17)19)24-11-14-7-5-12(2)6-8-14/h5-10H,4,11H2,1-3H3
InChIKey
VBZJYMVIOUBGOC-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-2-methyl-5-[(4-methylphenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.04666 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.053936 189.8
[M+Na]+ 425.035878 202.6
[M-H]- 401.039384 201.3
[M+NH4]+ 420.080483 206.7
[M+K]+ 441.009818 192.5
[M+H-H2O]+ 385.043920 188.7
[M+HCOO]- 447.044861 210.3
[M+CH3COO]- 461.060511 218.6
[M+Na-2H]- 423.021326 192.5
[M]+ 402.04611142 216.6
[M]- 402.04720858 216.6
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.