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

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 168.1
[M+Na]+ 316.142018 175.1
[M-H]- 292.145524 175.2
[M+NH4]+ 311.186623 181.8
[M+K]+ 332.115958 169.8
[M+H-H2O]+ 276.150060 157.6
[M+HCOO]- 338.151001 191.8
[M+CH3COO]- 352.166651 179.3
[M+Na-2H]- 314.127466 172.9
[M]+ 293.15225142 169.2
[M]- 293.15334858 169.2
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.