CID 3070797

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

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC1=C(NN=C1OCCCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H25N3O/c1-15-17(16-9-4-2-5-10-16)19-20-18(15)22-14-8-13-21-11-6-3-7-12-21/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,19,20)
InChIKey
ARNMIOZTOPESRU-UHFFFAOYSA-N
Compound name
1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.6
[M+Na]+ 322.18899 177.9
[M-H]- 298.19249 176.8
[M+NH4]+ 317.23359 185.1
[M+K]+ 338.16293 172.3
[M+H-H2O]+ 282.19703 162.6
[M+HCOO]- 344.19797 189.1
[M+CH3COO]- 358.21362 182.2
[M+Na-2H]- 320.17444 174.1
[M]+ 299.19922 169.7
[M]- 299.20032 169.7
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.