CID 871968

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

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCC1=CC(=C(C=C1OC)O)C2=NNC(=C2C3=CC=CC=C3)C
InChI
InChI=1S/C19H20N2O2/c1-4-13-10-15(16(22)11-17(13)23-3)19-18(12(2)20-21-19)14-8-6-5-7-9-14/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKey
RECIOBDCTQXWRP-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 175.8
[M+Na]+ 331.14169 191.0
[M+NH4]+ 326.18629 183.0
[M+K]+ 347.11563 185.1
[M-H]- 307.14519 180.3
[M+Na-2H]- 329.12714 184.1
[M]+ 308.15192 179.3
[M]- 308.15302 179.3
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.

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No patent data available for this compound.