CID 3046904

Ethanamine, n,n-diethyl-2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H25N3O
SMILES
CCN(CC)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-3-23(4-2)15-16-25-21-20(18-11-7-5-8-12-18)17-24(22-21)19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3
InChIKey
VZOQSHUQEYTYHE-UHFFFAOYSA-N
Compound name
2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-diethylethanamine
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 182.3
[M+Na]+ 358.18899 187.9
[M-H]- 334.19249 190.3
[M+NH4]+ 353.23359 194.8
[M+K]+ 374.16293 183.3
[M+H-H2O]+ 318.19703 171.0
[M+HCOO]- 380.19797 205.4
[M+CH3COO]- 394.21362 216.3
[M+Na-2H]- 356.17444 184.6
[M]+ 335.19922 185.5
[M]- 335.20032 185.5
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.