CID 110166

68400-41-9

Structural Information

Molecular Formula
C19H16N4O5S
SMILES
COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C19H16N4O5S/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13/h2-12,24H,1H3,(H,25,26,27)
InChIKey
BTQOIHYBALGCDD-UHFFFAOYSA-N
Compound name
3-[[4-[(4-hydroxyphenyl)diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.08414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09142 193.6
[M+Na]+ 435.07336 205.3
[M+NH4]+ 430.11796 199.1
[M+K]+ 451.04730 197.3
[M-H]- 411.07686 200.4
[M+Na-2H]- 433.05881 203.9
[M]+ 412.08359 197.4
[M]- 412.08469 197.4
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.