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]+ 325.107036 173.7
[M+Na]+ 347.088978 181.3
[M-H]- 323.092484 181.1
[M+NH4]+ 342.133583 188.1
[M+K]+ 363.062918 178.7
[M+H-H2O]+ 307.097020 166.4
[M+HCOO]- 369.097961 195.2
[M+CH3COO]- 383.113611 204.7
[M+Na-2H]- 345.074426 177.1
[M]+ 324.09921142 179.5
[M]- 324.10030858 179.5
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.