CID 9588075

Acetic acid, ((4-(3-furanyl(hydroxyimino)methyl)-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C17H13NO5
SMILES
C1=CC=C2C(=C1)C(=CC=C2OCC(=O)O)/C(=N/O)/C3=COC=C3
InChI
InChI=1S/C17H13NO5/c19-16(20)10-23-15-6-5-14(12-3-1-2-4-13(12)15)17(18-21)11-7-8-22-9-11/h1-9,21H,10H2,(H,19,20)/b18-17+
InChIKey
RKESOEFCSRLHBP-ISLYRVAYSA-N
Compound name
2-[4-[(Z)-C-(furan-3-yl)-N-hydroxycarbonimidoyl]naphthalen-1-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.086656 167.9
[M+Na]+ 334.068598 175.5
[M-H]- 310.072104 175.6
[M+NH4]+ 329.113203 182.6
[M+K]+ 350.042538 173.4
[M+H-H2O]+ 294.076640 160.5
[M+HCOO]- 356.077581 191.2
[M+CH3COO]- 370.093231 203.4
[M+Na-2H]- 332.054046 173.0
[M]+ 311.07883142 172.3
[M]- 311.07992858 172.3
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.