CID 3064525

2(3h)-benzoxazolone, 6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C26H23ClN2O4
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5Cl)OC3=O
InChI
InChI=1S/C26H23ClN2O4/c27-21-9-5-4-8-20(21)24(30)18-10-11-22-23(16-18)33-25(31)29(22)17-28-14-12-26(32,13-15-28)19-6-2-1-3-7-19/h1-11,16,32H,12-15,17H2
InChIKey
FLAKAXVPFIMUPW-UHFFFAOYSA-N
Compound name
6-(2-chlorobenzoyl)-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

462.13464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.14192 210.1
[M+Na]+ 485.12386 218.6
[M-H]- 461.12736 220.5
[M+NH4]+ 480.16846 218.3
[M+K]+ 501.09780 212.1
[M+H-H2O]+ 445.13190 198.4
[M+HCOO]- 507.13284 220.5
[M+CH3COO]- 521.14849 218.3
[M+Na-2H]- 483.10931 210.0
[M]+ 462.13409 212.5
[M]- 462.13519 212.5
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.