CID 63089883

1909325-63-8

Structural Information

Molecular Formula
C15H15N3O2
SMILES
C1CC(CNC1)C2=NC(=NO2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C15H15N3O2/c1-2-6-12-10(4-1)8-13(19-12)14-17-15(20-18-14)11-5-3-7-16-9-11/h1-2,4,6,8,11,16H,3,5,7,9H2
InChIKey
WCOSJGISCXBZBT-UHFFFAOYSA-N
Compound name
3-(1-benzofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 157.6
[M+Na]+ 292.105638 165.9
[M-H]- 268.109144 164.6
[M+NH4]+ 287.150243 170.6
[M+K]+ 308.079578 163.0
[M+H-H2O]+ 252.113680 148.9
[M+HCOO]- 314.114621 174.6
[M+CH3COO]- 328.130271 169.1
[M+Na-2H]- 290.091086 161.1
[M]+ 269.11587142 156.6
[M]- 269.11696858 156.6
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.