PubChemLite - Acid blue 193 (C20H14N2O5S)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O

InChI

InChI=1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)

InChIKey

ZMLWOOMWRCRLCH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	395.06963	187.1
[M+Na]+	417.05157	202.0
[M+NH4]+	412.09617	194.3
[M+K]+	433.02551	193.2
[M-H]-	393.05507	192.2
[M+Na-2H]-	415.03702	195.8
[M]+	394.06180	191.3
[M]-	394.06290	191.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.06963

187.1

[M+Na]+

417.05157

202.0

[M+NH4]+

412.09617

194.3

[M+K]+

433.02551

193.2

[M-H]-

393.05507

192.2

[M+Na-2H]-

415.03702

195.8

[M]+

394.06180

191.3

[M]-

394.06290

191.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Acid blue 193

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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