CID 22293687

5-chloro-2-(piperidin-4-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1CNCCC1C2=NC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2O/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
CTXQQZDBUIIQFM-UHFFFAOYSA-N
Compound name
5-chloro-2-piperidin-4-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

236.07164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.078916 150.2
[M+Na]+ 259.060858 159.3
[M-H]- 235.064364 154.0
[M+NH4]+ 254.105463 166.8
[M+K]+ 275.034798 154.3
[M+H-H2O]+ 219.068900 142.5
[M+HCOO]- 281.069841 163.3
[M+CH3COO]- 295.085491 162.0
[M+Na-2H]- 257.046306 155.5
[M]+ 236.07109142 149.2
[M]- 236.07218858 149.2
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