CID 148361923

Dtxsid101340432

Structural Information

Molecular Formula
C16H14N6O6S
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)N=NC3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H14N6O6S/c1-9-15(19-18-13-8-11(22(25)26)5-6-14(13)23)16(24)21(20-9)10-3-2-4-12(7-10)29(17,27)28/h2-8,20,23H,1H3,(H2,17,27,28)
InChIKey
NQMRKHIQXWPUGV-UHFFFAOYSA-N
Compound name
3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.06955 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.07683 187.9
[M+Na]+ 441.05877 198.1
[M+NH4]+ 436.10337 190.9
[M+K]+ 457.03271 197.9
[M-H]- 417.06227 192.0
[M+Na-2H]- 439.04422 194.1
[M]+ 418.06900 190.2
[M]- 418.07010 190.2
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

patents stripe