CID 764769

5-methoxy-2-(4-phenyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC(=C(C=C1)C2=C(C=NN2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14N2O2/c1-20-12-7-8-13(15(19)9-12)16-14(10-17-18-16)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)
InChIKey
IECKKLKMMOXCGB-UHFFFAOYSA-N
Compound name
5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 162.0
[M+Na]+ 289.09475 177.1
[M+NH4]+ 284.13935 169.7
[M+K]+ 305.06869 171.5
[M-H]- 265.09825 166.4
[M+Na-2H]- 287.08020 171.6
[M]+ 266.10498 165.4
[M]- 266.10608 165.4
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

No patent data available for this compound.