CID 63015225

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

Structural Information

Molecular Formula
C13H14BrN3O
SMILES
C1CNCCC1C2=NOC(=N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C13H14BrN3O/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKey
YSRFYZQPMNBUSK-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-3-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]+ 308.039276 162.8
[M+Na]+ 330.021218 172.4
[M-H]- 306.024724 170.0
[M+NH4]+ 325.065823 177.0
[M+K]+ 345.995158 161.4
[M+H-H2O]+ 290.029260 160.5
[M+HCOO]- 352.030201 177.3
[M+CH3COO]- 366.045851 175.0
[M+Na-2H]- 328.006666 167.4
[M]+ 307.03145142 177.1
[M]- 307.03254858 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.