CID 106423

68039-08-7

Structural Information

Molecular Formula
C25H22N4O4S
SMILES
CCOC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=CC=C4)S(=O)(=O)O)C
InChI
InChI=1S/C25H22N4O4S/c1-3-33-19-9-12-23(17(2)15-19)27-29-24-13-14-25(28-26-18-7-5-4-6-8-18)22-16-20(34(30,31)32)10-11-21(22)24/h4-16H,3H2,1-2H3,(H,30,31,32)
InChIKey
KVBAEQTZYUXDTH-UHFFFAOYSA-N
Compound name
5-[(4-ethoxy-2-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13617 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 211.7
[M+Na]+ 497.12539 225.6
[M+NH4]+ 492.16999 218.4
[M+K]+ 513.09933 215.0
[M-H]- 473.12889 220.6
[M+Na-2H]- 495.11084 222.9
[M]+ 474.13562 216.7
[M]- 474.13672 216.7
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

No patent data available for this compound.