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]+ 267.089476 157.5
[M+Na]+ 289.071418 167.6
[M-H]- 265.074924 163.0
[M+NH4]+ 284.116023 173.8
[M+K]+ 305.045358 163.2
[M+H-H2O]+ 249.079460 149.5
[M+HCOO]- 311.080401 172.1
[M+CH3COO]- 325.096051 169.8
[M+Na-2H]- 287.056866 161.9
[M]+ 266.08165142 159.8
[M]- 266.08274858 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.