CID 3057158

73972-66-4

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC1=NN(C(=C1)OCCN2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C18H25N3O/c1-16-14-18(22-13-12-20-10-6-3-7-11-20)21(19-16)15-17-8-4-2-5-9-17/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3
InChIKey
HTCHRHYDMRFZCA-UHFFFAOYSA-N
Compound name
1-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 173.6
[M+Na]+ 322.188988 178.2
[M-H]- 298.192494 178.0
[M+NH4]+ 317.233593 185.7
[M+K]+ 338.162928 173.5
[M+H-H2O]+ 282.197030 162.2
[M+HCOO]- 344.197971 190.5
[M+CH3COO]- 358.213621 182.8
[M+Na-2H]- 320.174436 174.4
[M]+ 299.19922142 171.4
[M]- 299.20031858 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

patents stripe