CID 3746746

Sodium 2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)benzenesulphonate

Structural Information

Molecular Formula
C12H11N5O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=CC(=C(C=C2N)N)S(=O)(=O)O)O
InChI
InChI=1S/C12H11N5O6S/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18/h1-5,18H,13-14H2,(H,21,22,23)
InChIKey
PNSZUHGNMLTLEA-UHFFFAOYSA-N
Compound name
2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

232
Patents

353.043 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05028 170.4
[M+Na]+ 376.03222 179.1
[M+NH4]+ 371.07682 174.4
[M+K]+ 392.00616 177.9
[M-H]- 352.03572 174.3
[M+Na-2H]- 374.01767 175.6
[M]+ 353.04245 172.5
[M]- 353.04355 172.5
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

patents stripe