CID 203744

15089-61-9

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC1=NN(C(=C1)OCCCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H25N3O/c1-16-15-18(21(19-16)17-9-4-2-5-10-17)22-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3
InChIKey
VBWVRGSXBIKTQB-UHFFFAOYSA-N
Compound name
1-[3-(5-methyl-2-phenylpyrazol-3-yl)oxypropyl]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 178.2
[M-H]- 298.19249 178.0
[M+NH4]+ 317.23359 185.7
[M+K]+ 338.16293 173.5
[M+H-H2O]+ 282.19703 162.2
[M+HCOO]- 344.19797 190.5
[M+CH3COO]- 358.21362 182.8
[M+Na-2H]- 320.17444 174.4
[M]+ 299.19922 171.4
[M]- 299.20032 171.4
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.