CID 764777

2-(1,5-dimethyl-4-phenoxy-1h-pyrazol-3-yl)-5-ethoxyphenol

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCOC1=CC(=C(C=C1)C2=NN(C(=C2OC3=CC=CC=C3)C)C)O
InChI
InChI=1S/C19H20N2O3/c1-4-23-15-10-11-16(17(22)12-15)18-19(13(2)21(3)20-18)24-14-8-6-5-7-9-14/h5-12,22H,4H2,1-3H3
InChIKey
ZOYSWLCZYIXILS-UHFFFAOYSA-N
Compound name
2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 178.4
[M+Na]+ 347.13662 193.7
[M+NH4]+ 342.18122 185.4
[M+K]+ 363.11056 188.0
[M-H]- 323.14012 182.9
[M+Na-2H]- 345.12207 186.9
[M]+ 324.14685 181.9
[M]- 324.14795 181.9
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.