CID 83571

62758-12-7

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₃S

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22/h5-12H,3-4H2,1-2H3,(H,20,21,22)

InChIKey

OORQUAGUOJMPCS-UHFFFAOYSA-N

Compound name

4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 845
Patents: 333.11472 Da
Monoisotopic Mass: 3.3
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]+	334.12200	176.3
[M+Na]+	356.10394	187.0
[M+NH4]+	351.14854	183.1
[M+K]+	372.07788	179.2
[M-H]-	332.10744	181.1
[M+Na-2H]-	354.08939	184.6
[M]+	333.11417	179.5
[M]-	333.11527	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe