CID 2761148

849925-02-6

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 177.7
[M+Na]+ 342.15768 192.3
[M+NH4]+ 337.20228 185.6
[M+K]+ 358.13162 186.2
[M-H]- 318.16118 185.4
[M+Na-2H]- 340.14313 187.9
[M]+ 319.16791 182.0
[M]- 319.16901 182.0
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