CID 136171017

37820-01-2

Structural Information

Molecular Formula
C19H16N4O4S
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C19H16N4O4S/c1-13-5-10-19(24)18(11-13)23-21-15-8-6-14(7-9-15)20-22-16-3-2-4-17(12-16)28(25,26)27/h2-12,24H,1H3,(H,25,26,27)
InChIKey
UBIFQGQEUBTNAC-UHFFFAOYSA-N
Compound name
3-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.08923 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09651 190.6
[M+Na]+ 419.07845 198.1
[M-H]- 395.08195 203.3
[M+NH4]+ 414.12305 201.8
[M+K]+ 435.05239 193.8
[M+H-H2O]+ 379.08649 179.8
[M+HCOO]- 441.08743 215.9
[M+CH3COO]- 455.10308 231.1
[M+Na-2H]- 417.06390 197.5
[M]+ 396.08868 195.1
[M]- 396.08978 195.1
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.