CID 3052180

2-((4-(2-furanylcarbonyl)-1-naphthalenyl)oxy)propanoic acid

Structural Information

Molecular Formula
C18H14O5
SMILES
CC(C(=O)O)OC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CO3
InChI
InChI=1S/C18H14O5/c1-11(18(20)21)23-15-9-8-14(12-5-2-3-6-13(12)15)17(19)16-7-4-10-22-16/h2-11H,1H3,(H,20,21)
InChIKey
SZBGPCHEYONXHA-UHFFFAOYSA-N
Compound name
2-[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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.1
[M+Na]+ 333.07336 181.2
[M+NH4]+ 328.11796 174.8
[M+K]+ 349.04730 178.1
[M-H]- 309.07686 171.8
[M+Na-2H]- 331.05881 174.1
[M]+ 310.08359 170.9
[M]- 310.08469 170.9
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.