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 182.0
[M+Na]+ 381.09765 192.1
[M-H]- 357.10115 189.6
[M+NH4]+ 376.14225 195.4
[M+K]+ 397.07159 186.1
[M+H-H2O]+ 341.10569 172.5
[M+HCOO]- 403.10663 194.5
[M+CH3COO]- 417.12228 192.5
[M+Na-2H]- 379.08310 185.3
[M]+ 358.10788 184.2
[M]- 358.10898 184.2
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

No patent data available for this compound.