CID 26786

6-chloro-3-(2-piperidinoethyl)-2-benzoxazolinone hydrochloride

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
C1CCN(CC1)CCN2C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C14H17ClN2O2/c15-11-4-5-12-13(10-11)19-14(18)17(12)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKey
BALVCOFWJSAMMQ-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09787 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.105146 162.2
[M+Na]+ 303.087088 171.8
[M-H]- 279.090594 167.5
[M+NH4]+ 298.131693 177.9
[M+K]+ 319.061028 167.2
[M+H-H2O]+ 263.095130 153.9
[M+HCOO]- 325.096071 176.4
[M+CH3COO]- 339.111721 174.0
[M+Na-2H]- 301.072536 166.0
[M]+ 280.09732142 164.8
[M]- 280.09841858 164.8
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.