CID 3047018

1-propanamine, 3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-n-ethyl-, monomethanesulfonate

Structural Information

Molecular Formula
C20H23N3O
SMILES
CCNCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-2-21-14-9-15-24-20-19(17-10-5-3-6-11-17)16-23(22-20)18-12-7-4-8-13-18/h3-8,10-13,16,21H,2,9,14-15H2,1H3
InChIKey
CETGXKYLODSAMM-UHFFFAOYSA-N
Compound name
3-(1,4-diphenylpyrazol-3-yl)oxy-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 177.0
[M+Na]+ 344.173318 183.0
[M-H]- 320.176824 183.7
[M+NH4]+ 339.217923 189.5
[M+K]+ 360.147258 177.2
[M+H-H2O]+ 304.181360 166.1
[M+HCOO]- 366.182301 200.0
[M+CH3COO]- 380.197951 187.3
[M+Na-2H]- 342.158766 180.7
[M]+ 321.18355142 178.7
[M]- 321.18464858 178.7
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.