CID 3744923

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

Structural Information

Molecular Formula
C16H13N5O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C16H13N5O3/c1-11-15(16(22)20(19-11)12-7-3-2-4-8-12)18-17-13-9-5-6-10-14(13)21(23)24/h2-10,15H,1H3
InChIKey
QODCXZVHQBEILU-UHFFFAOYSA-N
Compound name
5-methyl-4-[(2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.10184 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10912 171.7
[M+Na]+ 346.09106 185.6
[M+NH4]+ 341.13566 178.3
[M+K]+ 362.06500 183.1
[M-H]- 322.09456 178.8
[M+Na-2H]- 344.07651 181.1
[M]+ 323.10129 175.4
[M]- 323.10239 175.4
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

patents stripe