CID 91389

25305-93-5

Structural Information

Molecular Formula
C16H13N3O4S
SMILES
C1=CC2=C(C=CC(=C2O)N=NC3=CC=C(C=C3)N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C16H13N3O4S/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23/h1-9,20H,17H2,(H,21,22,23)
InChIKey
ANQQFIVHXBBRHV-UHFFFAOYSA-N
Compound name
6-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

343.06268 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06996 174.6
[M+Na]+ 366.05190 186.5
[M+NH4]+ 361.09650 181.3
[M+K]+ 382.02584 179.0
[M-H]- 342.05540 179.2
[M+Na-2H]- 364.03735 182.4
[M]+ 343.06213 177.9
[M]- 343.06323 177.9
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