CID 3046902

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

Structural Information

Molecular Formula
C19H21N3O
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O/c1-21(2)13-14-23-19-18(16-9-5-3-6-10-16)15-22(20-19)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKey
MVXHSQYNINUVPF-UHFFFAOYSA-N
Compound name
2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 173.3
[M+Na]+ 330.15768 179.8
[M-H]- 306.16118 181.6
[M+NH4]+ 325.20228 187.0
[M+K]+ 346.13162 175.7
[M+H-H2O]+ 290.16572 162.4
[M+HCOO]- 352.16666 197.1
[M+CH3COO]- 366.18231 184.5
[M+Na-2H]- 328.14313 176.7
[M]+ 307.16791 175.9
[M]- 307.16901 175.9
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.