CID 94575

55469-64-2

Structural Information

Molecular Formula
C8H12N4O2S
SMILES
CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H12N4O2S/c1-12(2)11-10-7-3-5-8(6-4-7)15(9,13)14/h3-6H,1-2H3,(H2,9,13,14)
InChIKey
IFQFVDMOGCFZIF-UHFFFAOYSA-N
Compound name
4-(dimethylaminodiazenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

228.0681 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07538 146.5
[M+Na]+ 251.05732 153.8
[M-H]- 227.06082 154.1
[M+NH4]+ 246.10192 165.4
[M+K]+ 267.03126 153.0
[M+H-H2O]+ 211.06536 138.6
[M+HCOO]- 273.06630 171.9
[M+CH3COO]- 287.08195 202.3
[M+Na-2H]- 249.04277 152.8
[M]+ 228.06755 149.4
[M]- 228.06865 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.