CID 797248

3-ethoxy-2-methyl-6-(4-phenyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCOC1=C(C(=C(C=C1)C2=C(C=NN2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H18N2O2/c1-3-22-16-10-9-14(18(21)12(16)2)17-15(11-19-20-17)13-7-5-4-6-8-13/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKey
LOZSNPAOMORXNL-UHFFFAOYSA-N
Compound name
3-ethoxy-2-methyl-6-(4-phenyl-1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 171.1
[M+Na]+ 317.12606 186.2
[M+NH4]+ 312.17066 178.5
[M+K]+ 333.10000 180.3
[M-H]- 293.12956 175.6
[M+Na-2H]- 315.11151 180.0
[M]+ 294.13629 174.6
[M]- 294.13739 174.6
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

No patent data available for this compound.