CID 3090034

1-(4-(4-(4-chloro-benzenesulfonyl)-phenoxy)-phenylazo)-naphthalen-2-ol

Structural Information

Molecular Formula
C28H19ClN2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C28H19ClN2O4S/c29-20-6-14-24(15-7-20)36(33,34)25-16-12-23(13-17-25)35-22-10-8-21(9-11-22)30-31-28-26-4-2-1-3-19(26)5-18-27(28)32/h1-18,32H
InChIKey
HGQDGYLSFOXAFW-UHFFFAOYSA-N
Compound name
1-[[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0754 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.08268 220.9
[M+Na]+ 537.06462 239.4
[M+NH4]+ 532.10922 229.1
[M+K]+ 553.03856 226.4
[M-H]- 513.06812 231.4
[M+Na-2H]- 535.05007 234.6
[M]+ 514.07485 227.7
[M]- 514.07595 227.7
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.