CID 3250429

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

Structural Information

Molecular Formula
C17H15ClN2OS
SMILES
CSC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H15ClN2OS/c1-22-16-7-5-12(6-8-16)17-13(11-21)10-20(19-17)15-4-2-3-14(18)9-15/h2-10,21H,11H2,1H3
InChIKey
KBTNUJBRJNARDG-UHFFFAOYSA-N
Compound name
[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.05936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06664 175.7
[M+Na]+ 353.04858 192.4
[M+NH4]+ 348.09318 184.8
[M+K]+ 369.02252 182.8
[M-H]- 329.05208 181.5
[M+Na-2H]- 351.03403 185.1
[M]+ 330.05881 180.7
[M]- 330.05991 180.7
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.