CID 3052176

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

Structural Information

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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.9
[M+Na]+ 333.07336 177.0
[M-H]- 309.07686 176.5
[M+NH4]+ 328.11796 183.9
[M+K]+ 349.04730 174.6
[M+H-H2O]+ 293.08140 161.8
[M+HCOO]- 355.08234 190.8
[M+CH3COO]- 369.09799 201.8
[M+Na-2H]- 331.05881 172.9
[M]+ 310.08359 174.4
[M]- 310.08469 174.4
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.