CID 216670

37585-38-9

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
ATUOIKVQJQROMF-UHFFFAOYSA-N
Compound name
5-methoxy-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.4
[M+Na]+ 289.09475 176.6
[M+NH4]+ 284.13935 168.5
[M+K]+ 305.06869 170.3
[M-H]- 265.09825 165.6
[M+Na-2H]- 287.08020 171.2
[M]+ 266.10498 164.3
[M]- 266.10608 164.3
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.