CID 3046964

1-propanamine, n,n-dimethyl-3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-, monohydrochloride

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C)CCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-19(17-10-5-3-6-11-17)16-23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKey
GFFCELIIMBBSAV-UHFFFAOYSA-N
Compound name
3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 177.8
[M+Na]+ 344.17332 183.9
[M-H]- 320.17682 186.0
[M+NH4]+ 339.21792 190.9
[M+K]+ 360.14726 179.5
[M+H-H2O]+ 304.18136 166.7
[M+HCOO]- 366.18230 201.3
[M+CH3COO]- 380.19795 213.4
[M+Na-2H]- 342.15877 180.7
[M]+ 321.18355 180.7
[M]- 321.18465 180.7
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.