CID 172515

Dtxsid701341040

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 194.8
[M+Na]+ 458.05480 202.2
[M-H]- 434.05830 201.4
[M+NH4]+ 453.09940 205.1
[M+K]+ 474.02874 196.7
[M+H-H2O]+ 418.06284 187.7
[M+HCOO]- 480.06378 207.8
[M+CH3COO]- 494.07943 230.5
[M+Na-2H]- 456.04025 199.7
[M]+ 435.06503 200.9
[M]- 435.06613 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.