CID 16410

Acid alizarin violet n

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₅S

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)O

InChI

InChI=1S/C16H12N2O5S/c19-14-8-6-11(24(21,22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,19-20H,(H,21,22,23)

InChIKey

IGLJWNJJOFKOTF-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1460
Patents: 344.0467 Da
Monoisotopic Mass: 3.0
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]+	345.053976	173.1
[M+Na]+	367.035918	181.9
[M-H]-	343.039424	180.1
[M+NH4]+	362.080523	186.5
[M+K]+	383.009858	177.2
[M+H-H2O]+	327.043960	165.4
[M+HCOO]-	389.044901	191.7
[M+CH3COO]-	403.060551	210.4
[M+Na-2H]-	365.021366	180.5
[M]+	344.04615142	176.7
[M]-	344.04724858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe