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 169.2
[M+Na]+ 317.12606 177.9
[M-H]- 293.12956 174.5
[M+NH4]+ 312.17066 182.4
[M+K]+ 333.10000 171.6
[M+H-H2O]+ 277.13410 160.1
[M+HCOO]- 339.13504 189.1
[M+CH3COO]- 353.15069 180.2
[M+Na-2H]- 315.11151 171.0
[M]+ 294.13629 169.5
[M]- 294.13739 169.5
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.