CID 136075998

69520-93-0

Structural Information

Molecular Formula
C22H22N4O4S
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C22H22N4O4S/c1-22(2,3)15-4-13-21(27)20(14-15)26-25-17-7-5-16(6-8-17)23-24-18-9-11-19(12-10-18)31(28,29)30/h4-14,27H,1-3H3,(H,28,29,30)
InChIKey
SDMJGYIUMUYOLX-UHFFFAOYSA-N
Compound name
4-[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.13617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14345 204.1
[M+Na]+ 461.12539 215.3
[M+NH4]+ 456.16999 209.4
[M+K]+ 477.09933 207.3
[M-H]- 437.12889 210.6
[M+Na-2H]- 459.11084 214.1
[M]+ 438.13562 207.9
[M]- 438.13672 207.9
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.