CID 3047020

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

Structural Information

Molecular Formula
C21H25N3O
SMILES
CCCNCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-2-14-22-15-9-16-25-21-20(18-10-5-3-6-11-18)17-24(23-21)19-12-7-4-8-13-19/h3-8,10-13,17,22H,2,9,14-16H2,1H3
InChIKey
MLOXYABZVVAFCC-UHFFFAOYSA-N
Compound name
3-(1,4-diphenylpyrazol-3-yl)oxy-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 184.3
[M+Na]+ 358.18899 198.3
[M+NH4]+ 353.23359 191.9
[M+K]+ 374.16293 190.5
[M-H]- 334.19249 190.2
[M+Na-2H]- 356.17444 194.2
[M]+ 335.19922 188.0
[M]- 335.20032 188.0
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.