CID 4391707

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

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC1=C(C(=NN1)C2=C(C=C(C=C2)OC(C)C)O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-12(2)23-15-9-10-16(17(22)11-15)19-18(13(3)20-21-19)14-7-5-4-6-8-14/h4-12,22H,1-3H3,(H,20,21)
InChIKey
CJBPDNLLGNSTFE-UHFFFAOYSA-N
Compound name
2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-propan-2-yloxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

308.15247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 175.2
[M+Na]+ 331.14169 189.7
[M+NH4]+ 326.18629 182.3
[M+K]+ 347.11563 184.5
[M-H]- 307.14519 179.5
[M+Na-2H]- 329.12714 183.5
[M]+ 308.15192 178.5
[M]- 308.15302 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.