CID 3070787

3-phenyl-5-piperidinoethoxy-pyrazole maleate

Structural Information

Molecular Formula
C16H21N3O
SMILES
C1CCN(CC1)CCOC2=NNC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O/c1-3-7-14(8-4-1)15-13-16(18-17-15)20-12-11-19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,17,18)
InChIKey
KFNUSWOOWOEQAC-UHFFFAOYSA-N
Compound name
1-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.2
[M+Na]+ 294.15768 168.4
[M-H]- 270.16118 167.3
[M+NH4]+ 289.20228 176.5
[M+K]+ 310.13162 163.3
[M+H-H2O]+ 254.16572 153.3
[M+HCOO]- 316.16666 180.4
[M+CH3COO]- 330.18231 173.3
[M+Na-2H]- 292.14313 166.5
[M]+ 271.16791 159.2
[M]- 271.16901 159.2
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.