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 218.5
[M+Na]+ 551.05532 225.3
[M-H]- 527.05882 225.8
[M+NH4]+ 546.09992 223.0
[M+K]+ 567.02926 220.0
[M+H-H2O]+ 511.06336 209.4
[M+HCOO]- 573.06430 227.5
[M+CH3COO]- 587.07995 244.0
[M+Na-2H]- 549.04077 224.7
[M]+ 528.06555 224.6
[M]- 528.06665 224.6
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.