CID 166200

71873-41-1

Structural Information

Molecular Formula
C23H19N3O6S2
SMILES
CC1=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/C23H19N3O6S2/c1-14-6-9-16(10-7-14)33(28,29)21-5-3-2-4-19(21)25-26-23-18(24)11-8-15-12-17(34(30,31)32)13-20(27)22(15)23/h2-13,27H,24H2,1H3,(H,30,31,32)
InChIKey
JCPKFYGRTWSJAE-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxy-5-[[2-(4-methylphenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

497.07153 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.07881 213.2
[M+Na]+ 520.06075 220.4
[M-H]- 496.06425 222.2
[M+NH4]+ 515.10535 219.7
[M+K]+ 536.03469 214.1
[M+H-H2O]+ 480.06879 203.6
[M+HCOO]- 542.06973 225.6
[M+CH3COO]- 556.08538 242.3
[M+Na-2H]- 518.04620 220.4
[M]+ 497.07098 217.2
[M]- 497.07208 217.2
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.