CID 11490

4005-68-9

Structural Information

Molecular Formula

C₁₈H₁₅N₃O₃S

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)

InChIKey

HLISYGBBLOOIQF-UHFFFAOYSA-N

Compound name

3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 69
References: 53755
Patents: 353.0834 Da
Monoisotopic Mass: 4.0
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]+	354.09068	179.4
[M+Na]+	376.07262	192.6
[M+NH4]+	371.11722	186.8
[M+K]+	392.04656	183.2
[M-H]-	352.07612	186.8
[M+Na-2H]-	374.05807	191.2
[M]+	353.08285	183.8
[M]-	353.08395	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe