CID 3725775

618441-67-1

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H15ClN2O/c1-12-5-7-13(8-6-12)17-14(11-21)10-20(19-17)16-4-2-3-15(18)9-16/h2-10,21H,11H2,1H3
InChIKey
YOPITDFSIZBUSN-UHFFFAOYSA-N
Compound name
[1-(3-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 169.2
[M+Na]+ 321.07650 186.3
[M+NH4]+ 316.12110 177.9
[M+K]+ 337.05044 178.9
[M-H]- 297.08000 174.7
[M+Na-2H]- 319.06195 179.4
[M]+ 298.08673 173.7
[M]- 298.08783 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.