CID 764772

3-methoxy-2-methyl-6-(4-phenyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=C(C=CC(=C1O)C2=C(C=NN2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H16N2O2/c1-11-15(21-2)9-8-13(17(11)20)16-14(10-18-19-16)12-6-4-3-5-7-12/h3-10,20H,1-2H3,(H,18,19)
InChIKey
QAGFFBCOJCZCLX-UHFFFAOYSA-N
Compound name
3-methoxy-2-methyl-6-(4-phenyl-1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.7
[M+Na]+ 303.110418 173.9
[M-H]- 279.113924 170.2
[M+NH4]+ 298.155023 178.5
[M+K]+ 319.084358 167.8
[M+H-H2O]+ 263.118460 155.8
[M+HCOO]- 325.119401 184.9
[M+CH3COO]- 339.135051 176.1
[M+Na-2H]- 301.095866 167.1
[M]+ 280.12065142 164.7
[M]- 280.12174858 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.