CID 3087729

2(3h)-benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C19H19ClN2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=CC(=C4)Cl)OC3=O
InChI
InChI=1S/C19H19ClN2O3/c20-15-6-7-17-16(12-15)22(18(23)25-17)13-21-10-8-19(24,9-11-21)14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2
InChIKey
CPKYOTUMKMVXAL-UHFFFAOYSA-N
Compound name
5-chloro-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10843 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11571 180.9
[M+Na]+ 381.09765 197.4
[M+NH4]+ 376.14225 190.3
[M+K]+ 397.07159 188.9
[M-H]- 357.10115 187.2
[M+Na-2H]- 379.08310 190.1
[M]+ 358.10788 185.6
[M]- 358.10898 185.6
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.