CID 764775

5-ethoxy-2-(4-phenyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CCOC1=CC(=C(C=C1)C2=C(C=NN2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H16N2O2/c1-2-21-13-8-9-14(16(20)10-13)17-15(11-18-19-17)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3,(H,18,19)
InChIKey
TZIHFGCOZNRIDL-UHFFFAOYSA-N
Compound name
5-ethoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.3
[M+Na]+ 303.110418 172.6
[M-H]- 279.113924 169.4
[M+NH4]+ 298.155023 177.8
[M+K]+ 319.084358 166.5
[M+H-H2O]+ 263.118460 155.2
[M+HCOO]- 325.119401 184.6
[M+CH3COO]- 339.135051 175.4
[M+Na-2H]- 301.095866 167.5
[M]+ 280.12065142 163.9
[M]- 280.12174858 163.9
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.