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]+ 274.19138 166.0
[M+Na]+ 296.17332 169.4
[M-H]- 272.17682 169.3
[M+NH4]+ 291.21792 176.9
[M+K]+ 312.14726 165.4
[M+H-H2O]+ 256.18136 155.2
[M+HCOO]- 318.18230 179.8
[M+CH3COO]- 332.19795 174.6
[M+Na-2H]- 294.15877 167.7
[M]+ 273.18355 160.2
[M]- 273.18465 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.