CID 172515

Cobaltate(1-), bis(5-((5-chloro-2-hydroxyphenyl)azo)-6-hydroxy-n-(2-hydroxyethyl)-n-methyl-2-naphthalenesulfonamidato(2-))-, sodium

Structural Information

Molecular Formula
C19H18ClN3O5S
SMILES
CC(CO)NS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H18ClN3O5S/c1-11(10-24)23-29(27,28)14-4-5-15-12(8-14)2-6-18(26)19(15)22-21-16-9-13(20)3-7-17(16)25/h2-9,11,23-26H,10H2,1H3
InChIKey
HMXFKIASRVJYCG-UHFFFAOYSA-N
Compound name
5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxy-N-(1-hydroxypropan-2-yl)naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

435.06558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.072856 194.8
[M+Na]+ 458.054798 202.2
[M-H]- 434.058304 201.4
[M+NH4]+ 453.099403 205.1
[M+K]+ 474.028738 196.7
[M+H-H2O]+ 418.062840 187.7
[M+HCOO]- 480.063781 207.8
[M+CH3COO]- 494.079431 230.5
[M+Na-2H]- 456.040246 199.7
[M]+ 435.06503142 200.9
[M]- 435.06612858 200.9
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.