CID 2761146

849925-01-5

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1CNCCC1C2=NC(=NO2)C3=CN=CC=C3
InChI
InChI=1S/C12H14N4O/c1-2-10(8-14-5-1)11-15-12(17-16-11)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2
InChIKey
DYVVZZYZACPGHP-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

230.11676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.4
[M+Na]+ 253.10598 165.8
[M+NH4]+ 248.15058 159.6
[M+K]+ 269.07992 161.4
[M-H]- 229.10948 156.8
[M+Na-2H]- 251.09143 160.5
[M]+ 230.11621 155.4
[M]- 230.11731 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe