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]+ 325.154676 176.6
[M+Na]+ 347.136618 186.0
[M-H]- 323.140124 183.5
[M+NH4]+ 342.181223 189.5
[M+K]+ 363.110558 181.1
[M+H-H2O]+ 307.144660 167.0
[M+HCOO]- 369.145601 197.8
[M+CH3COO]- 383.161251 207.5
[M+Na-2H]- 345.122066 177.6
[M]+ 324.14685142 180.9
[M]- 324.14794858 180.9
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.