CID 109838

68227-62-3

Structural Information

Molecular Formula
C25H22N4O5S
SMILES
CCOC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=CC=C4OC)S(=O)(=O)O
InChI
InChI=1S/C25H22N4O5S/c1-3-34-18-10-8-17(9-11-18)26-27-22-14-15-23(28-29-24-6-4-5-7-25(24)33-2)21-16-19(35(30,31)32)12-13-20(21)22/h4-16H,3H2,1-2H3,(H,30,31,32)
InChIKey
VXJSAEHJNQPTTG-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyphenyl)diazenyl]-8-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1311 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.13838 214.9
[M+Na]+ 513.12032 221.7
[M-H]- 489.12382 228.9
[M+NH4]+ 508.16492 223.6
[M+K]+ 529.09426 218.0
[M+H-H2O]+ 473.12836 202.6
[M+HCOO]- 535.12930 239.3
[M+CH3COO]- 549.14495 252.1
[M+Na-2H]- 511.10577 222.8
[M]+ 490.13055 223.6
[M]- 490.13165 223.6
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.