CID 3047026

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

Structural Information

Molecular Formula
C22H27N3O
SMILES
CC(C)(C)NCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O/c1-22(2,3)23-15-10-16-26-21-20(18-11-6-4-7-12-18)17-25(24-21)19-13-8-5-9-14-19/h4-9,11-14,17,23H,10,15-16H2,1-3H3
InChIKey
BVYBWMTWYKETQA-UHFFFAOYSA-N
Compound name
N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 187.4
[M+Na]+ 372.20464 193.0
[M-H]- 348.20814 194.2
[M+NH4]+ 367.24924 199.0
[M+K]+ 388.17858 187.4
[M+H-H2O]+ 332.21268 176.9
[M+HCOO]- 394.21362 208.1
[M+CH3COO]- 408.22927 215.8
[M+Na-2H]- 370.19009 190.9
[M]+ 349.21487 189.3
[M]- 349.21597 189.3
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.