CID 136072369

118716-62-4

Structural Information

Molecular Formula
C22H18N6O8S2
SMILES
C1=CC2=C(C(=C(C=C2C=C1N=NC3=C(C=C(C=C3)O)N)S(=O)(=O)O)N=NC4=C(C=CC(=C4)S(=O)(=O)N)O)O
InChI
InChI=1S/C22H18N6O8S2/c23-16-9-13(29)2-5-17(16)26-25-12-1-4-15-11(7-12)8-20(38(34,35)36)21(22(15)31)28-27-18-10-14(37(24,32)33)3-6-19(18)30/h1-10,29-31H,23H2,(H2,24,32,33)(H,34,35,36)
InChIKey
YUAZGKUBZBQAES-UHFFFAOYSA-N
Compound name
7-[(2-amino-4-hydroxyphenyl)diazenyl]-4-hydroxy-3-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

558.06274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.07002 218.6
[M+Na]+ 581.05196 225.8
[M+NH4]+ 576.09656 220.4
[M+K]+ 597.02590 220.6
[M-H]- 557.05546 223.1
[M+Na-2H]- 579.03741 225.4
[M]+ 558.06219 221.2
[M]- 558.06329 221.2
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

No patent data available for this compound.