CID 108543

61290-31-1

Structural Information

Molecular Formula
C24H26N4O6S
SMILES
CCC(COC1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)C)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC)O
InChI
InChI=1S/C24H26N4O6S/c1-4-19(29)15-34-20-10-8-17(9-11-20)25-28-23-12-16(2)22(14-24(23)33-3)27-26-18-6-5-7-21(13-18)35(30,31)32/h5-14,19,29H,4,15H2,1-3H3,(H,30,31,32)
InChIKey
MDQMOGJFJXLACI-UHFFFAOYSA-N
Compound name
3-[[4-[[4-(2-hydroxybutoxy)phenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.15732 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.16460 217.2
[M+Na]+ 521.14654 227.3
[M+NH4]+ 516.19114 221.1
[M+K]+ 537.12048 219.9
[M-H]- 497.15004 223.2
[M+Na-2H]- 519.13199 225.5
[M]+ 498.15677 220.5
[M]- 498.15787 220.5
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.