CID 110312

68444-06-4

Structural Information

Molecular Formula
C19H16N4O4S
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C19H16N4O4S/c1-13-2-11-19(24)18(12-13)23-22-15-5-3-14(4-6-15)20-21-16-7-9-17(10-8-16)28(25,26)27/h2-12,24H,1H3,(H,25,26,27)
InChIKey
ZXCHETMWIZQJRC-UHFFFAOYSA-N
Compound name
4-[[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 190.7
[M+Na]+ 419.07845 203.1
[M+NH4]+ 414.12305 196.8
[M+K]+ 435.05239 194.5
[M-H]- 395.08195 198.1
[M+Na-2H]- 417.06390 201.5
[M]+ 396.08868 194.9
[M]- 396.08978 194.9
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.