CID 135452530

Nsc318213

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

C1=CC(=C(C(=C1)O)O)/C=N/N=C/C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C14H12N2O4/c17-11-5-1-3-9(13(11)19)7-15-16-8-10-4-2-6-12(18)14(10)20/h1-8,17-20H/b15-7+,16-8+

InChIKey

LRQXLWBMGFQQHO-BGPOSVGRSA-N

Compound name

3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 3
Patents: 272.0797 Da
Monoisotopic Mass: 1.9
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]+	273.086976	158.5
[M+Na]+	295.068918	166.5
[M-H]-	271.072424	163.5
[M+NH4]+	290.113523	173.1
[M+K]+	311.042858	162.2
[M+H-H2O]+	255.076960	150.9
[M+HCOO]-	317.077901	183.1
[M+CH3COO]-	331.093551	197.8
[M+Na-2H]-	293.054366	163.6
[M]+	272.07915142	158.2
[M]-	272.08024858	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe