CID 3047022

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

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC(C)NCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-17(2)22-14-9-15-25-21-20(18-10-5-3-6-11-18)16-24(23-21)19-12-7-4-8-13-19/h3-8,10-13,16-17,22H,9,14-15H2,1-2H3
InChIKey
BBMFKICVFKGOIK-UHFFFAOYSA-N
Compound name
3-(1,4-diphenylpyrazol-3-yl)oxy-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 183.9
[M+Na]+ 358.18899 197.5
[M+NH4]+ 353.23359 191.4
[M+K]+ 374.16293 190.7
[M-H]- 334.19249 189.7
[M+Na-2H]- 356.17444 193.5
[M]+ 335.19922 187.5
[M]- 335.20032 187.5
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.