CID 22908

37678-79-8

Structural Information

Molecular Formula
C22H16N4O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O
InChI
InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)
InChIKey
LEYJJTBJCFGAQN-UHFFFAOYSA-N
Compound name
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1656
Patents

432.08923 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09651 197.9
[M+Na]+ 455.07845 211.5
[M+NH4]+ 450.12305 204.7
[M+K]+ 471.05239 201.7
[M-H]- 431.08195 206.3
[M+Na-2H]- 453.06390 209.5
[M]+ 432.08868 202.6
[M]- 432.08978 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe