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

55
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 150.2
[M+Na]+ 259.06086 159.3
[M-H]- 235.06436 154.0
[M+NH4]+ 254.10546 166.8
[M+K]+ 275.03480 154.3
[M+H-H2O]+ 219.06890 142.5
[M+HCOO]- 281.06984 163.3
[M+CH3COO]- 295.08549 162.0
[M+Na-2H]- 257.04631 155.5
[M]+ 236.07109 149.2
[M]- 236.07219 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