CID 3046996

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

Structural Information

Molecular Formula
C20H23N3O
SMILES
CC(C)NCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-16(2)21-13-14-24-20-19(17-9-5-3-6-10-17)15-23(22-20)18-11-7-4-8-12-18/h3-12,15-16,21H,13-14H2,1-2H3
InChIKey
JJKYVZWYRVFANS-UHFFFAOYSA-N
Compound name
N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 177.6
[M+Na]+ 344.17332 183.3
[M-H]- 320.17682 184.4
[M+NH4]+ 339.21792 190.0
[M+K]+ 360.14726 178.1
[M+H-H2O]+ 304.18136 166.9
[M+HCOO]- 366.18230 199.6
[M+CH3COO]- 380.19795 187.8
[M+Na-2H]- 342.15877 180.1
[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.