CID 172515

70236-43-0

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
2
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]+ 436.07286 197.2
[M+Na]+ 458.05480 208.4
[M+NH4]+ 453.09940 202.7
[M+K]+ 474.02874 201.1
[M-H]- 434.05830 200.8
[M+Na-2H]- 456.04025 203.2
[M]+ 435.06503 200.3
[M]- 435.06613 200.3
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.