CID 3009608

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

Structural Information

Molecular Formula
C26H22Cl2N2O3
SMILES
C1C(N(C(CC1=O)C2=CC=C(C=C2)Cl)OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H22Cl2N2O3/c27-19-9-5-17(6-10-19)23-15-21(31)16-24(18-7-11-20(28)12-8-18)30(23)32-14-13-26-29-22-3-1-2-4-25(22)33-26/h1-12,23-24H,13-16H2
InChIKey
SPOKFRSBRDYXGW-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.10074 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.10802 216.2
[M+Na]+ 503.08996 225.5
[M-H]- 479.09346 226.6
[M+NH4]+ 498.13456 223.3
[M+K]+ 519.06390 218.0
[M+H-H2O]+ 463.09800 204.1
[M+HCOO]- 525.09894 223.4
[M+CH3COO]- 539.11459 224.2
[M+Na-2H]- 501.07541 214.4
[M]+ 480.10019 221.6
[M]- 480.10129 221.6
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.