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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 180.3
[M+Na]+ 345.15734 195.3
[M+NH4]+ 340.20194 187.3
[M+K]+ 361.13128 189.2
[M-H]- 321.16084 184.8
[M+Na-2H]- 343.14279 188.4
[M]+ 322.16757 183.8
[M]- 322.16867 183.8
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.