CID 3064522

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

Structural Information

Molecular Formula
C26H24N2O4
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C26H24N2O4/c29-24(19-7-3-1-4-8-19)20-11-12-22-23(17-20)32-25(30)28(22)18-27-15-13-26(31,14-16-27)21-9-5-2-6-10-21/h1-12,17,31H,13-16,18H2
InChIKey
VKGVIJYQUDGQJN-UHFFFAOYSA-N
Compound name
6-benzoyl-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

428.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 203.1
[M+Na]+ 451.16282 210.0
[M-H]- 427.16632 213.4
[M+NH4]+ 446.20742 211.5
[M+K]+ 467.13676 204.6
[M+H-H2O]+ 411.17086 191.1
[M+HCOO]- 473.17180 218.1
[M+CH3COO]- 487.18745 211.4
[M+Na-2H]- 449.14827 204.2
[M]+ 428.17305 202.5
[M]- 428.17415 202.5
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.