CID 271035

29821-97-4

Structural Information

Molecular Formula
C21H18N6O3S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N6O3S/c1-15-20(21(28)27(25-15)17-7-3-2-4-8-17)24-23-16-10-12-18(13-11-16)31(29,30)26-19-9-5-6-14-22-19/h2-14,20H,1H3,(H,22,26)
InChIKey
SOYVDBUUZKUJMU-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.11612 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12340 201.8
[M+Na]+ 457.10534 210.0
[M-H]- 433.10884 214.1
[M+NH4]+ 452.14994 209.3
[M+K]+ 473.07928 203.7
[M+H-H2O]+ 417.11338 190.0
[M+HCOO]- 479.11432 222.4
[M+CH3COO]- 493.12997 211.3
[M+Na-2H]- 455.09079 206.4
[M]+ 434.11557 204.9
[M]- 434.11667 204.9
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.