CID 3046994

Ethanamine, 2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C18H19N3O
SMILES
CNCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-19-12-13-22-18-17(15-8-4-2-5-9-15)14-21(20-18)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3
InChIKey
LWDIDMFITQWKKN-UHFFFAOYSA-N
Compound name
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

293.1528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 170.7
[M+Na]+ 316.14202 185.3
[M+NH4]+ 311.18662 178.8
[M+K]+ 332.11596 178.3
[M-H]- 292.14552 176.7
[M+Na-2H]- 314.12747 181.4
[M]+ 293.15225 174.5
[M]- 293.15335 174.5
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.