CID 3047002

Propanamine, n-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C20H23N3O
SMILES
CCCNCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-2-13-21-14-15-24-20-19(17-9-5-3-6-10-17)16-23(22-20)18-11-7-4-8-12-18/h3-12,16,21H,2,13-15H2,1H3
InChIKey
RZSHNNFTABJLNQ-UHFFFAOYSA-N
Compound name
N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 177.0
[M+Na]+ 344.17332 183.0
[M-H]- 320.17682 183.7
[M+NH4]+ 339.21792 189.5
[M+K]+ 360.14726 177.2
[M+H-H2O]+ 304.18136 166.1
[M+HCOO]- 366.18230 200.0
[M+CH3COO]- 380.19795 187.3
[M+Na-2H]- 342.15877 180.7
[M]+ 321.18355 178.7
[M]- 321.18465 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.