CID 41127

2(3h)-benzoxazolone, 6-chloro-3-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
C1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C13H15ClN2O2/c14-10-4-5-11-12(8-10)18-13(17)16(11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKey
RNAGEHMREOWQPY-UHFFFAOYSA-N
Compound name
6-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 156.0
[M+Na]+ 289.07142 171.3
[M+NH4]+ 284.11602 164.8
[M+K]+ 305.04536 165.4
[M-H]- 265.07492 160.6
[M+Na-2H]- 287.05687 162.6
[M]+ 266.08165 159.8
[M]- 266.08275 159.8
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.