CID 111991

2,4-dihydro-4-[(2-hydroxyphenyl)azo]-5-methyl-2-phenyl-3h-pyrazol-3-one

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 166.2
[M+Na]+ 317.10088 174.9
[M-H]- 293.10438 175.6
[M+NH4]+ 312.14548 180.6
[M+K]+ 333.07482 170.5
[M+H-H2O]+ 277.10892 155.9
[M+HCOO]- 339.10986 192.3
[M+CH3COO]- 353.12551 208.4
[M+Na-2H]- 315.08633 170.6
[M]+ 294.11111 167.1
[M]- 294.11221 167.1
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