PubChemLite - 32266-60-7 (C17H13NO8S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)O

InChI

InChI=1S/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)

InChIKey

DUCCKQSNXPFEGT-UHFFFAOYSA-N

Compound name

4-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]naphthalene-2,7-disulfonic 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]+	424.01555	190.9
[M+Na]+	445.99749	200.7
[M+NH4]+	441.04209	194.5
[M+K]+	461.97143	194.6
[M-H]-	422.00099	190.7
[M+Na-2H]-	443.98294	195.2
[M]+	423.00772	192.9
[M]-	423.00882	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.01555

190.9

[M+Na]+

445.99749

200.7

[M+NH4]+

441.04209

194.5

[M+K]+

461.97143

194.6

[M-H]-

422.00099

190.7

[M+Na-2H]-

443.98294

195.2

[M]+

423.00772

192.9

[M]-

423.00882

192.9

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

32266-60-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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