CID 271036

29821-98-5

Structural Information

Molecular Formula
C20H17N7O3S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N7O3S/c1-14-18(19(28)27(25-14)16-6-3-2-4-7-16)24-23-15-8-10-17(11-9-15)31(29,30)26-20-21-12-5-13-22-20/h2-13,18H,1H3,(H,21,22,26)
InChIKey
YPORQKIALNXQEO-UHFFFAOYSA-N
Compound name
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.11136 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11864 201.3
[M+Na]+ 458.10058 210.0
[M-H]- 434.10408 212.6
[M+NH4]+ 453.14518 207.5
[M+K]+ 474.07452 203.5
[M+H-H2O]+ 418.10862 189.3
[M+HCOO]- 480.10956 221.0
[M+CH3COO]- 494.12521 210.5
[M+Na-2H]- 456.08603 206.5
[M]+ 435.11081 204.5
[M]- 435.11191 204.5
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.