CID 2761148

4-(3-benzhydryl-1,2,4-oxadiazol-5-yl)piperidine

Structural Information

Molecular Formula
C20H21N3O
SMILES
C1CNCCC1C2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-22-20(24-23-19)17-11-13-21-14-12-17/h1-10,17-18,21H,11-14H2
InChIKey
CPRQKDVHUSKGTQ-UHFFFAOYSA-N
Compound name
3-benzhydryl-5-piperidin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

319.16846 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 175.2
[M+Na]+ 342.15768 178.8
[M-H]- 318.16118 181.9
[M+NH4]+ 337.20228 183.5
[M+K]+ 358.13162 173.5
[M+H-H2O]+ 302.16572 163.4
[M+HCOO]- 364.16666 189.3
[M+CH3COO]- 378.18231 183.5
[M+Na-2H]- 340.14313 176.9
[M]+ 319.16791 168.9
[M]- 319.16901 168.9
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