CID 10038269

Systebryl

Structural Information

Molecular Formula

C₁₃H₁₁NO₅

SMILES

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C13H11NO5/c15-9-3-1-7(5-11(9)17)13(19)14-8-2-4-10(16)12(18)6-8/h1-6,15-18H,(H,14,19)

InChIKey

XIKSEDLKDYKPTO-UHFFFAOYSA-N

Compound name

N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 261.06372 Da
Monoisotopic Mass: 1.3
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]+	262.070996	154.9
[M+Na]+	284.052938	162.5
[M-H]-	260.056444	157.4
[M+NH4]+	279.097543	168.7
[M+K]+	300.026878	158.6
[M+H-H2O]+	244.060980	148.3
[M+HCOO]-	306.061921	174.7
[M+CH3COO]-	320.077571	189.7
[M+Na-2H]-	282.038386	158.0
[M]+	261.06317142	152.9
[M]-	261.06426858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe