CID 717927

332163-04-9

Structural Information

Molecular Formula
C14H13NO6
SMILES
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CO2)OC
InChI
InChI=1S/C14H13NO6/c1-19-11-6-8(14(17)18)9(7-12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKey
KZLNQJXZHDOUIA-UHFFFAOYSA-N
Compound name
2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

291.07428 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08156 162.2
[M+Na]+ 314.06350 169.5
[M-H]- 290.06700 169.1
[M+NH4]+ 309.10810 177.0
[M+K]+ 330.03744 169.3
[M+H-H2O]+ 274.07154 155.2
[M+HCOO]- 336.07248 185.5
[M+CH3COO]- 350.08813 200.3
[M+Na-2H]- 312.04895 164.5
[M]+ 291.07373 167.1
[M]- 291.07483 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.