CID 160816

25317-07-1

Structural Information

Molecular Formula
C22H17N3O6S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N
InChI
InChI=1S/C22H17N3O6S2/c23-17-11-10-14-12-16(33(29,30)31)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)32(27,28)15-6-2-1-3-7-15/h1-13,26H,23H2,(H,29,30,31)
InChIKey
MAUHYLITSXECQK-UHFFFAOYSA-N
Compound name
6-amino-5-[[2-(benzenesulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

483.05588 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.06316 205.2
[M+Na]+ 506.04510 216.7
[M+NH4]+ 501.08970 210.2
[M+K]+ 522.01904 208.2
[M-H]- 482.04860 210.4
[M+Na-2H]- 504.03055 214.3
[M]+ 483.05533 209.2
[M]- 483.05643 209.2
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