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

54
Patents

236.07164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 149.4
[M+Na]+ 259.06086 164.5
[M+NH4]+ 254.10546 158.9
[M+K]+ 275.03480 158.5
[M-H]- 235.06436 154.2
[M+Na-2H]- 257.04631 156.5
[M]+ 236.07109 153.3
[M]- 236.07219 153.3
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