CID 172477

70209-95-9

Structural Information

Molecular Formula
C22H17N3O7S2
SMILES
C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N
InChI
InChI=1S/C22H17N3O7S2/c23-17-11-10-14-12-16(33(27,28)29)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)34(30,31)32-15-6-2-1-3-7-15/h1-13,26H,23H2,(H,27,28,29)
InChIKey
RPSOMEXMDUJKMH-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxy-5-[(2-phenoxysulfonylphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

499.05078 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.05806 210.9
[M+Na]+ 522.04000 217.3
[M-H]- 498.04350 219.7
[M+NH4]+ 517.08460 216.9
[M+K]+ 538.01394 211.9
[M+H-H2O]+ 482.04804 201.2
[M+HCOO]- 544.04898 223.9
[M+CH3COO]- 558.06463 240.5
[M+Na-2H]- 520.02545 219.8
[M]+ 499.05023 215.4
[M]- 499.05133 215.4
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