CID 829131

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

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCC1=CC(=C(C=C1OC)O)C2=NNC(=C2OC3=CC=CC=C3)C
InChI
InChI=1S/C19H20N2O3/c1-4-13-10-15(16(22)11-17(13)23-3)18-19(12(2)20-21-18)24-14-8-6-5-7-9-14/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKey
PNSTVNIXEVZIBA-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-2-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

324.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 176.9
[M+Na]+ 347.136618 185.8
[M-H]- 323.140124 182.5
[M+NH4]+ 342.181223 189.0
[M+K]+ 363.110558 180.1
[M+H-H2O]+ 307.144660 167.6
[M+HCOO]- 369.145601 196.5
[M+CH3COO]- 383.161251 205.2
[M+Na-2H]- 345.122066 177.5
[M]+ 324.14685142 179.4
[M]- 324.14794858 179.4
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

patents stripe