CID 23063932

Schembl2270561

Structural Information

Molecular Formula

C₁₃H₁₁NO₄

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)O)O)O

InChI

InChI=1S/C13H11NO4/c15-9-3-1-8(2-4-9)14-13(18)11-6-5-10(16)7-12(11)17/h1-7,15-17H,(H,14,18)

InChIKey

AVYPXMGFAUDRHH-UHFFFAOYSA-N

Compound name

2,4-dihydroxy-N-(4-hydroxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 245.0688 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.07608	153.5
[M+Na]+	268.05802	165.7
[M+NH4]+	263.10262	160.0
[M+K]+	284.03196	160.9
[M-H]-	244.06152	156.0
[M+Na-2H]-	266.04347	160.3
[M]+	245.06825	155.7
[M]-	245.06935	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe