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 171.2
[M+Na]+ 337.07142 181.5
[M-H]- 313.07492 177.7
[M+NH4]+ 332.11602 185.1
[M+K]+ 353.04536 174.7
[M+H-H2O]+ 297.07946 162.1
[M+HCOO]- 359.08040 188.1
[M+CH3COO]- 373.09605 182.8
[M+Na-2H]- 335.05687 173.4
[M]+ 314.08165 175.1
[M]- 314.08275 175.1
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.