CID 3009606

1-[2-(1,3-benzoxazol-2-yl)ethoxy]-3-methyl-2,6-diphenyl-piperidin-4-one

Structural Information

Molecular Formula
C27H26N2O3
SMILES
CC1C(N(C(CC1=O)C2=CC=CC=C2)OCCC3=NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O3/c1-19-24(30)18-23(20-10-4-2-5-11-20)29(27(19)21-12-6-3-7-13-21)31-17-16-26-28-22-14-8-9-15-25(22)32-26/h2-15,19,23,27H,16-18H2,1H3
InChIKey
OJBPUCGLEYUVDF-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-3-methyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 206.0
[M+Na]+ 449.18356 212.9
[M-H]- 425.18706 217.1
[M+NH4]+ 444.22816 213.5
[M+K]+ 465.15750 206.9
[M+H-H2O]+ 409.19160 193.4
[M+HCOO]- 471.19254 222.6
[M+CH3COO]- 485.20819 214.5
[M+Na-2H]- 447.16901 205.9
[M]+ 426.19379 207.2
[M]- 426.19489 207.2
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.