CID 2496576

[1-benzyl-3-(3-methoxyphenyl)-1h-pyrazol-4-yl]methanol

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1=CC=CC(=C1)C2=NN(C=C2CO)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-22-17-9-5-8-15(10-17)18-16(13-21)12-20(19-18)11-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3
InChIKey
DRORXPKWRSRKQX-UHFFFAOYSA-N
Compound name
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

294.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.7
[M+Na]+ 317.12606 176.9
[M-H]- 293.12956 174.9
[M+NH4]+ 312.17066 182.3
[M+K]+ 333.10000 171.5
[M+H-H2O]+ 277.13410 159.0
[M+HCOO]- 339.13504 190.1
[M+CH3COO]- 353.15069 180.0
[M+Na-2H]- 315.11151 171.7
[M]+ 294.13629 170.4
[M]- 294.13739 170.4
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.