CID 135571068

64346-38-9

Structural Information

Molecular Formula
C24H20N2O8S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)O)C)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C24H20N2O8S2/c1-13-9-15(16-4-7-20(27)14(2)10-16)3-6-19(13)25-26-24-21(28)8-5-17-11-18(35(29,30)31)12-22(23(17)24)36(32,33)34/h3-12,27-28H,1-2H3,(H,29,30,31)(H,32,33,34)
InChIKey
YIBLSRDTGAZNOU-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[4-(4-hydroxy-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.0661 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.07338 218.7
[M+Na]+ 551.05532 230.2
[M+NH4]+ 546.09992 222.2
[M+K]+ 567.02926 222.8
[M-H]- 527.05882 222.1
[M+Na-2H]- 549.04077 225.5
[M]+ 528.06555 222.1
[M]- 528.06665 222.1
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.