CID 701999

307551-66-2

Structural Information

Molecular Formula
C20H18O5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3C)C
InChI
InChI=1S/C20H18O5/c1-4-23-20(22)18-13(3)24-17-10-9-14(11-16(17)18)25-19(21)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3
InChIKey
HMXGGJPFTFAVNG-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.122696 178.1
[M+Na]+ 361.104638 187.7
[M-H]- 337.108144 187.6
[M+NH4]+ 356.149243 193.5
[M+K]+ 377.078578 185.9
[M+H-H2O]+ 321.112680 170.9
[M+HCOO]- 383.113621 200.8
[M+CH3COO]- 397.129271 211.3
[M+Na-2H]- 359.090086 180.0
[M]+ 338.11487142 186.7
[M]- 338.11596858 186.7
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.