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

7
Patents

324.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.9
[M+Na]+ 347.13662 185.8
[M-H]- 323.14012 182.5
[M+NH4]+ 342.18122 189.0
[M+K]+ 363.11056 180.1
[M+H-H2O]+ 307.14466 167.6
[M+HCOO]- 369.14560 196.5
[M+CH3COO]- 383.16125 205.2
[M+Na-2H]- 345.12207 177.5
[M]+ 324.14685 179.4
[M]- 324.14795 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