CID 3009605

4-piperidinone, 1-[2-(2-benzoxazolyl)ethoxy]-2,6-diphenyl-

Structural Information

Molecular Formula
C26H24N2O3
SMILES
C1C(N(C(CC1=O)C2=CC=CC=C2)OCCC3=NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C26H24N2O3/c29-21-17-23(19-9-3-1-4-10-19)28(24(18-21)20-11-5-2-6-12-20)30-16-15-26-27-22-13-7-8-14-25(22)31-26/h1-14,23-24H,15-18H2
InChIKey
MAZHVUSVIRPVIB-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 200.5
[M+Na]+ 435.16790 207.0
[M-H]- 411.17140 211.4
[M+NH4]+ 430.21250 208.3
[M+K]+ 451.14184 201.1
[M+H-H2O]+ 395.17594 188.0
[M+HCOO]- 457.17688 217.5
[M+CH3COO]- 471.19253 209.2
[M+Na-2H]- 433.15335 201.7
[M]+ 412.17813 201.0
[M]- 412.17923 201.0
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.