CID 3014417

Dtxsid901340905

Structural Information

Molecular Formula
C12H12N4O4S
SMILES
C1=CC(=C(C=C1N)N)N=NC2=C(C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C12H12N4O4S/c13-7-1-3-10(9(14)5-7)15-16-11-6-8(21(18,19)20)2-4-12(11)17/h1-6,17H,13-14H2,(H,18,19,20)
InChIKey
HINBYJWOYICUDB-UHFFFAOYSA-N
Compound name
3-[(2,4-diaminophenyl)diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.05792 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06520 164.8
[M+Na]+ 331.04714 172.7
[M-H]- 307.05064 171.3
[M+NH4]+ 326.09174 178.2
[M+K]+ 347.02108 168.4
[M+H-H2O]+ 291.05518 156.5
[M+HCOO]- 353.05612 186.6
[M+CH3COO]- 367.07177 210.4
[M+Na-2H]- 329.03259 169.5
[M]+ 308.05737 164.7
[M]- 308.05847 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe