CID 22028230

2460756-89-0

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
C1CNCCC1C2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H14ClN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2
InChIKey
XRCLALYWUKGUMH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

263.08255 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08983 159.0
[M+Na]+ 286.07177 166.3
[M-H]- 262.07527 163.2
[M+NH4]+ 281.11637 171.5
[M+K]+ 302.04571 161.2
[M+H-H2O]+ 246.07981 149.1
[M+HCOO]- 308.08075 170.4
[M+CH3COO]- 322.09640 169.3
[M+Na-2H]- 284.05722 161.8
[M]+ 263.08200 155.9
[M]- 263.08310 155.9
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