CID 3070791

Piperidine, 1-(2-((4-methyl-5-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, (z)-2-butenedioate (1:1)

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]+ 286.191376 169.3
[M+Na]+ 308.173318 174.0
[M-H]- 284.176824 172.6
[M+NH4]+ 303.217923 181.4
[M+K]+ 324.147258 168.6
[M+H-H2O]+ 268.181360 158.5
[M+HCOO]- 330.182301 185.1
[M+CH3COO]- 344.197951 178.3
[M+Na-2H]- 306.158766 170.3
[M]+ 285.18355142 165.1
[M]- 285.18464858 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.