CID 871968

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

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCC1=CC(=C(C=C1OC)O)C2=NNC(=C2C3=CC=CC=C3)C
InChI
InChI=1S/C19H20N2O2/c1-4-13-10-15(16(22)11-17(13)23-3)19-18(12(2)20-21-19)14-8-6-5-7-9-14/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKey
RECIOBDCTQXWRP-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.9
[M+Na]+ 331.14169 183.1
[M-H]- 307.14519 179.5
[M+NH4]+ 326.18629 186.9
[M+K]+ 347.11563 176.7
[M+H-H2O]+ 291.14973 164.9
[M+HCOO]- 353.15067 193.4
[M+CH3COO]- 367.16632 184.8
[M+Na-2H]- 329.12714 174.5
[M]+ 308.15192 175.1
[M]- 308.15302 175.1
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.