CID 322334

53793-01-4

Structural Information

Molecular Formula
C21H17N5O4S
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N2C3=CC=CC=C3)N=NC4=CC=C(C=C4)S(=O)(=O)N)O
InChI
InChI=1S/C21H17N5O4S/c22-31(29,30)18-13-11-15(12-14-18)23-24-19-20(27)25(16-7-3-1-4-8-16)26(21(19)28)17-9-5-2-6-10-17/h1-14,27H,(H2,22,29,30)
InChIKey
VPIKSYIFHUWAEG-UHFFFAOYSA-N
Compound name
4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.10013 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10741 201.4
[M+Na]+ 458.08935 210.5
[M-H]- 434.09285 214.0
[M+NH4]+ 453.13395 209.5
[M+K]+ 474.06329 204.2
[M+H-H2O]+ 418.09739 190.7
[M+HCOO]- 480.09833 222.7
[M+CH3COO]- 494.11398 232.3
[M+Na-2H]- 456.07480 205.1
[M]+ 435.09958 204.5
[M]- 435.10068 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.