CID 3052175

Propanoic acid, 3-((4-(2-furanylcarbonyl)-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C18H14O5
SMILES
C1=CC=C2C(=C1)C(=CC=C2OCCC(=O)O)C(=O)C3=CC=CO3
InChI
InChI=1S/C18H14O5/c19-17(20)9-11-23-15-8-7-14(12-4-1-2-5-13(12)15)18(21)16-6-3-10-22-16/h1-8,10H,9,11H2,(H,19,20)
InChIKey
HKANRCXQQQAKGY-UHFFFAOYSA-N
Compound name
3-[4-(furan-2-carbonyl)naphthalen-1-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.6
[M+Na]+ 333.07336 182.2
[M+NH4]+ 328.11796 175.5
[M+K]+ 349.04730 178.2
[M-H]- 309.07686 172.6
[M+Na-2H]- 331.05881 175.0
[M]+ 310.08359 171.6
[M]- 310.08469 171.6
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.