CID 3047006

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

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC(C)(C)NCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-21(2,3)22-14-15-25-20-19(17-10-6-4-7-11-17)16-24(23-20)18-12-8-5-9-13-18/h4-13,16,22H,14-15H2,1-3H3
InChIKey
XDSRUQIRADIBMW-UHFFFAOYSA-N
Compound name
N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.207046 183.0
[M+Na]+ 358.188988 189.0
[M-H]- 334.192494 190.0
[M+NH4]+ 353.233593 195.2
[M+K]+ 374.162928 183.6
[M+H-H2O]+ 318.197030 172.6
[M+HCOO]- 380.197971 204.1
[M+CH3COO]- 394.213621 212.9
[M+Na-2H]- 356.174436 187.0
[M]+ 335.19922142 184.5
[M]- 335.20031858 184.5
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.