CID 105524

Einecs 266-863-2

Structural Information

Molecular Formula

C₁₆H₂₀N₄O₃S

SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)OC)N

InChI

InChI=1S/C16H20N4O3S/c1-11-9-14(17)16(23-4)10-15(11)19-18-12-5-7-13(8-6-12)24(21,22)20(2)3/h5-10H,17H2,1-4H3

InChIKey

DBZDIZIHYNYEMO-UHFFFAOYSA-N

Compound name

4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 348.1256 Da
Monoisotopic Mass: 2.5
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]+	349.132876	180.4
[M+Na]+	371.114818	187.9
[M-H]-	347.118324	191.2
[M+NH4]+	366.159423	194.7
[M+K]+	387.088758	185.6
[M+H-H2O]+	331.122860	170.9
[M+HCOO]-	393.123801	204.8
[M+CH3COO]-	407.139451	228.0
[M+Na-2H]-	369.100266	184.0
[M]+	348.12505142	186.2
[M]-	348.12614858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.