CID 3020110

84753-01-5

Structural Information

Molecular Formula
C22H17N7O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)
InChIKey
JPOGZXYYWANLQL-UHFFFAOYSA-N
Compound name
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.14438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15166 194.1
[M+Na]+ 434.13360 199.9
[M-H]- 410.13710 209.4
[M+NH4]+ 429.17820 203.3
[M+K]+ 450.10754 195.7
[M+H-H2O]+ 394.14164 180.4
[M+HCOO]- 456.14258 225.2
[M+CH3COO]- 470.15823 243.0
[M+Na-2H]- 432.11905 199.4
[M]+ 411.14383 194.8
[M]- 411.14493 194.8
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.