CID 1226524

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

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CCC1=CC(=C(C=C1OCC)O)C2=NNC(=C2C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2O2/c1-4-14-11-16(17(23)12-18(14)24-5-2)20-19(13(3)21-22-20)15-9-7-6-8-10-15/h6-12,23H,4-5H2,1-3H3,(H,21,22)

InChIKey

ZCLUSVCYQLNEHK-UHFFFAOYSA-N

Compound name

5-ethoxy-4-ethyl-2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.175396	178.4
[M+Na]+	345.157338	187.1
[M-H]-	321.160844	183.8
[M+NH4]+	340.201943	190.8
[M+K]+	361.131278	180.5
[M+H-H2O]+	305.165380	169.2
[M+HCOO]-	367.166321	197.6
[M+CH3COO]-	381.181971	206.0
[M+Na-2H]-	343.142786	178.4
[M]+	322.16757142	179.9
[M]-	322.16866858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.