CID 3840452

(1-(4-fluorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-10,21H,11H2,1H3
InChIKey
AJGJMNNLMWNXHR-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11176 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 170.7
[M+Na]+ 321.10098 185.3
[M+NH4]+ 316.14558 177.7
[M+K]+ 337.07492 179.4
[M-H]- 297.10448 174.0
[M+Na-2H]- 319.08643 179.4
[M]+ 298.11121 173.7
[M]- 298.11231 173.7
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.