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]+ 311.091416 168.9
[M+Na]+ 333.073358 177.0
[M-H]- 309.076864 176.5
[M+NH4]+ 328.117963 183.9
[M+K]+ 349.047298 174.6
[M+H-H2O]+ 293.081400 161.8
[M+HCOO]- 355.082341 190.8
[M+CH3COO]- 369.097991 201.8
[M+Na-2H]- 331.058806 172.9
[M]+ 310.08359142 174.4
[M]- 310.08468858 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.