CID 163517

Chromate(1-), bis(n-(8-((4-chloro-2-(hydroxy-kappao)-5-methoxyphenyl)azo-kappan1)-7-(hydroxy-kappao)-1-naphthalenyl)methanesulfonamidato(2-))-, sodium

Structural Information

Molecular Formula
C18H16ClN3O5S
SMILES
COC1=C(C=C(C(=C1)N=NC2=C(C=CC3=C2C(=CC=C3)NS(=O)(=O)C)O)O)Cl
InChI
InChI=1S/C18H16ClN3O5S/c1-27-16-9-13(15(24)8-11(16)19)20-21-18-14(23)7-6-10-4-3-5-12(17(10)18)22-28(2,25)26/h3-9,22-24H,1-2H3
InChIKey
DENFYEGHMCKAIS-UHFFFAOYSA-N
Compound name
N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.04993 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.05721 192.6
[M+Na]+ 444.03915 202.0
[M-H]- 420.04265 201.0
[M+NH4]+ 439.08375 204.5
[M+K]+ 460.01309 196.9
[M+H-H2O]+ 404.04719 185.2
[M+HCOO]- 466.04813 208.3
[M+CH3COO]- 480.06378 230.0
[M+Na-2H]- 442.02460 198.3
[M]+ 421.04938 201.0
[M]- 421.05048 201.0
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.