CID 3868024

618441-80-8

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=CC=C3)CO
InChI
InChI=1S/C17H16N2O/c1-13-7-5-6-10-16(13)19-11-15(12-20)17(18-19)14-8-3-2-4-9-14/h2-11,20H,12H2,1H3
InChIKey
LKOIJUJTOBFIHE-UHFFFAOYSA-N
Compound name
[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 162.6
[M+Na]+ 287.11547 178.6
[M+NH4]+ 282.16007 171.1
[M+K]+ 303.08941 171.9
[M-H]- 263.11897 168.0
[M+Na-2H]- 285.10092 173.1
[M]+ 264.12570 166.6
[M]- 264.12680 166.6
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.