CID 11037

502-02-3

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₃S

SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)

InChIKey

IETWCRRCPURZOC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 989
References: 53857
Patents: 305.0834 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]+	306.09068	167.7
[M+Na]+	328.07262	178.9
[M+NH4]+	323.11722	174.8
[M+K]+	344.04656	171.5
[M-H]-	304.07612	172.6
[M+Na-2H]-	326.05807	176.5
[M]+	305.08285	171.0
[M]-	305.08395	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe