CID 71817

Benzofurodil

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1=C(OC2=C1C=C(C=C2)C3=CC(=O)OC3)C(C)OC(=O)CCC(=O)O
InChI
InChI=1S/C19H18O7/c1-10-14-7-12(13-8-18(23)24-9-13)3-4-15(14)26-19(10)11(2)25-17(22)6-5-16(20)21/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,20,21)
InChIKey
URIZBPYQIRFMBF-UHFFFAOYSA-N
Compound name
4-[1-[3-methyl-5-(5-oxo-2H-furan-3-yl)-1-benzofuran-2-yl]ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1169
Patents

358.10526 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 179.3
[M+Na]+ 381.09448 189.3
[M+NH4]+ 376.13908 183.9
[M+K]+ 397.06842 190.5
[M-H]- 357.09798 182.0
[M+Na-2H]- 379.07993 180.5
[M]+ 358.10471 181.1
[M]- 358.10581 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe