CID 106106

67906-52-9

Structural Information

Molecular Formula
C23H18N4O5S
SMILES
COC1=CC=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)O)S(=O)(=O)O
InChI
InChI=1S/C23H18N4O5S/c1-32-23-5-3-2-4-22(23)27-26-21-13-12-20(25-24-15-6-8-16(28)9-7-15)18-11-10-17(14-19(18)21)33(29,30)31/h2-14,28H,1H3,(H,29,30,31)
InChIKey
LDHLXSYLSZZUPY-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)diazenyl]-8-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0998 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.10708 205.4
[M+Na]+ 485.08902 212.7
[M-H]- 461.09252 218.5
[M+NH4]+ 480.13362 214.6
[M+K]+ 501.06296 208.7
[M+H-H2O]+ 445.09706 194.0
[M+HCOO]- 507.09800 229.1
[M+CH3COO]- 521.11365 244.3
[M+Na-2H]- 483.07447 214.0
[M]+ 462.09925 211.8
[M]- 462.10035 211.8
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.