CID 111991

10010-74-9

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O2/c1-11-15(18-17-13-9-5-6-10-14(13)21)16(22)20(19-11)12-7-3-2-4-8-12/h2-10,15,21H,1H3
InChIKey
LKMOBUZCNODMQM-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

294.11166 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 168.1
[M+Na]+ 317.10088 181.7
[M+NH4]+ 312.14548 175.1
[M+K]+ 333.07482 176.3
[M-H]- 293.10438 173.8
[M+Na-2H]- 315.08633 177.6
[M]+ 294.11111 171.5
[M]- 294.11221 171.5
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

patents stripe