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]+ 281.12848 164.7
[M+Na]+ 303.11042 173.9
[M-H]- 279.11392 170.2
[M+NH4]+ 298.15502 178.5
[M+K]+ 319.08436 167.8
[M+H-H2O]+ 263.11846 155.8
[M+HCOO]- 325.11940 184.9
[M+CH3COO]- 339.13505 176.1
[M+Na-2H]- 301.09587 167.1
[M]+ 280.12065 164.7
[M]- 280.12175 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.