CID 271034

29821-99-6

Structural Information

Molecular Formula
C21H19N7O3S
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C21H19N7O3S/c1-14-12-13-22-21(23-14)27-32(30,31)18-10-8-16(9-11-18)24-25-19-15(2)26-28(20(19)29)17-6-4-3-5-7-17/h3-13,19H,1-2H3,(H,22,23,27)
InChIKey
FUEQWUQEKJEBIC-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

449.127 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13428 206.9
[M+Na]+ 472.11622 215.9
[M-H]- 448.11972 218.4
[M+NH4]+ 467.16082 212.7
[M+K]+ 488.09016 209.2
[M+H-H2O]+ 432.12426 194.8
[M+HCOO]- 494.12520 226.1
[M+CH3COO]- 508.14085 238.3
[M+Na-2H]- 470.10167 210.8
[M]+ 449.12645 210.8
[M]- 449.12755 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.