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 173.7
[M+Na]+ 347.08898 181.3
[M-H]- 323.09248 181.1
[M+NH4]+ 342.13358 188.1
[M+K]+ 363.06292 178.7
[M+H-H2O]+ 307.09702 166.4
[M+HCOO]- 369.09796 195.2
[M+CH3COO]- 383.11361 204.7
[M+Na-2H]- 345.07443 177.1
[M]+ 324.09921 179.5
[M]- 324.10031 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.