CID 3109308

6528-22-9

Structural Information

Molecular Formula
C22H18N4O
SMILES
CC1=CC=C(C=C1)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O/c1-16-12-14-18(15-13-16)23-24-21-20(17-8-4-2-5-9-17)25-26(22(21)27)19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKey
SMSBYCMVWQOLIG-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14807 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15535 186.2
[M+Na]+ 377.13729 203.0
[M+NH4]+ 372.18189 194.1
[M+K]+ 393.11123 194.9
[M-H]- 353.14079 195.3
[M+Na-2H]- 375.12274 199.4
[M]+ 354.14752 191.3
[M]- 354.14862 191.3
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.