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 176.6
[M+Na]+ 347.13662 186.0
[M-H]- 323.14012 183.5
[M+NH4]+ 342.18122 189.5
[M+K]+ 363.11056 181.1
[M+H-H2O]+ 307.14466 167.0
[M+HCOO]- 369.14560 197.8
[M+CH3COO]- 383.16125 207.5
[M+Na-2H]- 345.12207 177.6
[M]+ 324.14685 180.9
[M]- 324.14795 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.