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]+ 295.144116 169.2
[M+Na]+ 317.126058 177.9
[M-H]- 293.129564 174.5
[M+NH4]+ 312.170663 182.4
[M+K]+ 333.099998 171.6
[M+H-H2O]+ 277.134100 160.1
[M+HCOO]- 339.135041 189.1
[M+CH3COO]- 353.150691 180.2
[M+Na-2H]- 315.111506 171.0
[M]+ 294.13629142 169.5
[M]- 294.13738858 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.