CID 3070791

4-methyl-5-phenyl-3-piperidinoethoxy-pyrazole maleate

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1=C(NN=C1OCCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-14-16(15-8-4-2-5-9-15)18-19-17(14)21-13-12-20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,18,19)
InChIKey
LQOSPXSEEBAFRJ-UHFFFAOYSA-N
Compound name
1-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.3
[M+Na]+ 308.17332 174.0
[M-H]- 284.17682 172.6
[M+NH4]+ 303.21792 181.4
[M+K]+ 324.14726 168.6
[M+H-H2O]+ 268.18136 158.5
[M+HCOO]- 330.18230 185.1
[M+CH3COO]- 344.19795 178.3
[M+Na-2H]- 306.15877 170.3
[M]+ 285.18355 165.1
[M]- 285.18465 165.1
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.