CID 752098

36640-66-1

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3
InChIKey
SAUYEUZHDZKNKX-UHFFFAOYSA-N
Compound name
[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
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

literature stripe

Patent stripe

patents stripe