CID 171038

51418-90-7

Structural Information

Molecular Formula
C24H26N4O6S
SMILES
CCC(COC1=C(C=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC)C)O
InChI
InChI=1S/C24H26N4O6S/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32)
InChIKey
RLTRKZCHORAFFY-UHFFFAOYSA-N
Compound name
3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]diazenyl]-3-methoxyphenyl]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 217.4
[M+Na]+ 521.14654 222.0
[M-H]- 497.15004 229.3
[M+NH4]+ 516.19114 224.0
[M+K]+ 537.12048 219.3
[M+H-H2O]+ 481.15458 205.3
[M+HCOO]- 543.15552 240.1
[M+CH3COO]- 557.17117 252.4
[M+Na-2H]- 519.13199 221.1
[M]+ 498.15677 225.9
[M]- 498.15787 225.9
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.