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 170.5
[M+Na]+ 317.12606 185.8
[M+NH4]+ 312.17066 178.2
[M+K]+ 333.10000 179.4
[M-H]- 293.12956 175.4
[M+Na-2H]- 315.11151 180.3
[M]+ 294.13629 174.2
[M]- 294.13739 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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