CID 3300100

(3-(4-(methylthio)phenyl)-1-phenyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C17H16N2OS
SMILES
CSC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKey
AYMFMMQZOFFZDU-UHFFFAOYSA-N
Compound name
[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 168.2
[M+Na]+ 319.08755 183.7
[M+NH4]+ 314.13215 177.0
[M+K]+ 335.06149 174.9
[M-H]- 295.09105 173.8
[M+Na-2H]- 317.07300 177.9
[M]+ 296.09778 172.6
[M]- 296.09888 172.6
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.