CID 3735337

(1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H15ClN2O2/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
ALQYVCFPBFXOQE-UHFFFAOYSA-N
Compound name
[1-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0822 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 172.2
[M+Na]+ 337.07142 188.9
[M+NH4]+ 332.11602 180.4
[M+K]+ 353.04536 182.0
[M-H]- 313.07492 177.3
[M+Na-2H]- 335.05687 182.0
[M]+ 314.08165 176.5
[M]- 314.08275 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.