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]+ 294.16008 168.1
[M+Na]+ 316.14202 175.1
[M-H]- 292.14552 175.2
[M+NH4]+ 311.18662 181.8
[M+K]+ 332.11596 169.8
[M+H-H2O]+ 276.15006 157.6
[M+HCOO]- 338.15100 191.8
[M+CH3COO]- 352.16665 179.3
[M+Na-2H]- 314.12747 172.9
[M]+ 293.15225 169.2
[M]- 293.15335 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.