CID 172472

Einecs 274-363-0

Structural Information

Molecular Formula
C17H14ClN3O4S
SMILES
CNS(=O)(=O)C1=C(C=C(C(=C1)O)N=NC2=C(C=CC3=CC=CC=C32)O)Cl
InChI
InChI=1S/C17H14ClN3O4S/c1-19-26(24,25)16-9-15(23)13(8-12(16)18)20-21-17-11-5-3-2-4-10(11)6-7-14(17)22/h2-9,19,22-23H,1H3
InChIKey
IAOCLBKJSCQUED-UHFFFAOYSA-N
Compound name
2-chloro-5-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.03937 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04665 185.2
[M+Na]+ 414.02859 194.7
[M-H]- 390.03209 193.5
[M+NH4]+ 409.07319 198.3
[M+K]+ 430.00253 188.8
[M+H-H2O]+ 374.03663 178.1
[M+HCOO]- 436.03757 201.2
[M+CH3COO]- 450.05322 223.4
[M+Na-2H]- 412.01404 191.7
[M]+ 391.03882 191.5
[M]- 391.03992 191.5
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.