CID 155886752

Dtxsid001340439

Structural Information

Molecular Formula
C18H17ClN6O7S
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)NCCO)N=NC3=C(C(=CC(=C3)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C18H17ClN6O7S/c1-10-16(22-21-14-7-11(19)8-15(17(14)27)25(29)30)18(28)24(23-10)12-3-2-4-13(9-12)33(31,32)20-5-6-26/h2-4,7-9,20,23,26-27H,5-6H2,1H3
InChIKey
QYDDYNLRPJFEKR-UHFFFAOYSA-N
Compound name
3-[4-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.0568 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.06408 206.1
[M+Na]+ 519.04602 216.2
[M+NH4]+ 514.09062 208.2
[M+K]+ 535.01996 215.5
[M-H]- 495.04952 209.5
[M+Na-2H]- 517.03147 211.1
[M]+ 496.05625 208.5
[M]- 496.05735 208.5
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.