CID 24842737

102207-10-3

Structural Information

Molecular Formula
C16H23N3O
SMILES
C1CCN(CC1)CCCC2=NC(NO2)C3=CC=CC=C3
InChI
InChI=1S/C16H23N3O/c1-3-8-14(9-4-1)16-17-15(20-18-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,16,18H,2,5-7,10-13H2
InChIKey
FYHDEWITTKYCPS-UHFFFAOYSA-N
Compound name
3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.191376 166.0
[M+Na]+ 296.173318 169.4
[M-H]- 272.176824 169.3
[M+NH4]+ 291.217923 176.9
[M+K]+ 312.147258 165.4
[M+H-H2O]+ 256.181360 155.2
[M+HCOO]- 318.182301 179.8
[M+CH3COO]- 332.197951 174.6
[M+Na-2H]- 294.158766 167.7
[M]+ 273.18355142 160.2
[M]- 273.18464858 160.2
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.