CID 3009610

1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)-3,5-dimethyl-piperidin-4-one

Structural Information

Molecular Formula
C28H26Cl2N2O3
SMILES
CC1C(N(C(C(C1=O)C)C2=CC=C(C=C2)Cl)OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H26Cl2N2O3/c1-17-26(19-7-11-21(29)12-8-19)32(27(18(2)28(17)33)20-9-13-22(30)14-10-20)34-16-15-25-31-23-5-3-4-6-24(23)35-25/h3-14,17-18,26-27H,15-16H2,1-2H3
InChIKey
IHQMPUJXFXFAAU-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.13205 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.13933 226.6
[M+Na]+ 531.12127 236.7
[M-H]- 507.12477 237.4
[M+NH4]+ 526.16587 233.2
[M+K]+ 547.09521 229.0
[M+H-H2O]+ 491.12931 214.5
[M+HCOO]- 553.13025 233.0
[M+CH3COO]- 567.14590 234.3
[M+Na-2H]- 529.10672 222.3
[M]+ 508.13150 233.4
[M]- 508.13260 233.4
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.