CID 53417951

4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C13H14BrN3O
SMILES
C1CNCCC1C2=NC(=NO2)C3=CC=CC=C3Br
InChI
InChI=1S/C13H14BrN3O/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKey
DLLRJBZFTUABMQ-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.032 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03928 162.8
[M+Na]+ 330.02122 172.4
[M-H]- 306.02472 170.0
[M+NH4]+ 325.06582 177.0
[M+K]+ 345.99516 161.4
[M+H-H2O]+ 290.02926 160.5
[M+HCOO]- 352.03020 177.3
[M+CH3COO]- 366.04585 175.0
[M+Na-2H]- 328.00667 167.4
[M]+ 307.03145 177.1
[M]- 307.03255 177.1
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.