CID 135465368

2-hydroxy-4-[(e)-(2,3,4-trihydroxyphenyl)methyleneamino]benzoic acid

Structural Information

Molecular Formula
C14H11NO6
SMILES
C1=CC(=C(C=C1N=CC2=C(C(=C(C=C2)O)O)O)O)C(=O)O
InChI
InChI=1S/C14H11NO6/c16-10-4-1-7(12(18)13(10)19)6-15-8-2-3-9(14(20)21)11(17)5-8/h1-6,16-19H,(H,20,21)
InChIKey
AWGSIUIJJVUVJQ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2,3,4-trihydroxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.05862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06590 160.9
[M+Na]+ 312.04784 168.9
[M-H]- 288.05134 163.6
[M+NH4]+ 307.09244 173.6
[M+K]+ 328.02178 165.2
[M+H-H2O]+ 272.05588 154.0
[M+HCOO]- 334.05682 180.6
[M+CH3COO]- 348.07247 195.8
[M+Na-2H]- 310.03329 162.9
[M]+ 289.05807 160.4
[M]- 289.05917 160.4
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.