CID 3052178

Butanoic acid, 4-((4-(2-furanylcarbonyl)-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C19H16O5
SMILES
C1=CC=C2C(=C1)C(=CC=C2OCCCC(=O)O)C(=O)C3=CC=CO3
InChI
InChI=1S/C19H16O5/c20-18(21)8-4-12-23-16-10-9-15(13-5-1-2-6-14(13)16)19(22)17-7-3-11-24-17/h1-3,5-7,9-11H,4,8,12H2,(H,20,21)
InChIKey
FUIQMPOWPRTOFK-UHFFFAOYSA-N
Compound name
4-[4-(furan-2-carbonyl)naphthalen-1-yl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 173.2
[M+Na]+ 347.08898 186.5
[M+NH4]+ 342.13358 179.9
[M+K]+ 363.06292 182.3
[M-H]- 323.09248 177.2
[M+Na-2H]- 345.07443 179.3
[M]+ 324.09921 176.2
[M]- 324.10031 176.2
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.