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 210.4
[M-H]- 437.12889 216.4
[M+NH4]+ 456.16999 213.6
[M+K]+ 477.09933 206.4
[M+H-H2O]+ 421.13343 193.3
[M+HCOO]- 483.13437 226.8
[M+CH3COO]- 497.15002 239.7
[M+Na-2H]- 459.11084 210.8
[M]+ 438.13562 208.9
[M]- 438.13672 208.9
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.