CID 3844720

5-methyl-4-((4-phenoxyphenyl)diazenyl)-2-phenyl-2,4-dihydro-3h-pyrazol-3-one

Structural Information

Molecular Formula
C22H18N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O2/c1-16-21(22(27)26(25-16)18-8-4-2-5-9-18)24-23-17-12-14-20(15-13-17)28-19-10-6-3-7-11-19/h2-15,21H,1H3
InChIKey
XDMFJQPCEZQBAF-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-phenoxyphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14297 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15025 187.6
[M+Na]+ 393.13219 195.1
[M-H]- 369.13569 200.7
[M+NH4]+ 388.17679 198.7
[M+K]+ 409.10613 189.7
[M+H-H2O]+ 353.14023 175.0
[M+HCOO]- 415.14117 214.0
[M+CH3COO]- 429.15682 198.6
[M+Na-2H]- 391.11764 191.4
[M]+ 370.14242 189.5
[M]- 370.14352 189.5
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.