CID 3009611

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

Structural Information

Molecular Formula
C28H28N2O5
SMILES
COC1=CC=C(C=C1)C2CC(=O)CC(N2OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H28N2O5/c1-32-22-11-7-19(8-12-22)25-17-21(31)18-26(20-9-13-23(33-2)14-10-20)30(25)34-16-15-28-29-24-5-3-4-6-27(24)35-28/h3-14,25-26H,15-18H2,1-2H3
InChIKey
RALMMSGVIMCKDL-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.19983 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.20711 216.1
[M+Na]+ 495.18905 222.8
[M-H]- 471.19255 227.5
[M+NH4]+ 490.23365 221.7
[M+K]+ 511.16299 218.4
[M+H-H2O]+ 455.19709 203.2
[M+HCOO]- 517.19803 232.6
[M+CH3COO]- 531.21368 224.1
[M+Na-2H]- 493.17450 215.2
[M]+ 472.19928 220.7
[M]- 472.20038 220.7
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.