CID 4106970

14847-56-4

Structural Information

Molecular Formula
C16H13N5O4
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22/h2-9,15,22H,1H3
InChIKey
ZAIHMYMWUJGVFK-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.09674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10402 175.2
[M+Na]+ 362.08596 188.4
[M+NH4]+ 357.13056 180.9
[M+K]+ 378.05990 186.9
[M-H]- 338.08946 181.4
[M+Na-2H]- 360.07141 183.3
[M]+ 339.09619 178.4
[M]- 339.09729 178.4
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