CID 3020854

72138-98-8

Structural Information

Molecular Formula
C20H18N4O5S
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)O)O)C
InChI
InChI=1S/C20H18N4O5S/c1-12-3-8-16(13(2)9-12)22-24-18-10-17(19(25)11-20(18)26)23-21-14-4-6-15(7-5-14)30(27,28)29/h3-11,25-26H,1-2H3,(H,27,28,29)
InChIKey
NQOVDDULHPGVSH-UHFFFAOYSA-N
Compound name
4-[[5-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.0998 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10708 198.5
[M+Na]+ 449.08902 206.2
[M-H]- 425.09252 210.2
[M+NH4]+ 444.13362 208.0
[M+K]+ 465.06296 202.0
[M+H-H2O]+ 409.09706 187.8
[M+HCOO]- 471.09800 221.9
[M+CH3COO]- 485.11365 237.0
[M+Na-2H]- 447.07447 203.5
[M]+ 426.09925 203.7
[M]- 426.10035 203.7
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

patents stripe