CID 11546379

1-[2-(3h-imidazo[4,5-b]pyridin-2-yl)ethoxy]-3-methyl-2,6-diphenyl-piperidin-4-one

Structural Information

Molecular Formula
C26H26N4O2
SMILES
CC1C(N(C(CC1=O)C2=CC=CC=C2)OCCC3=NC4=C(N3)C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2/c1-18-23(31)17-22(19-9-4-2-5-10-19)30(25(18)20-11-6-3-7-12-20)32-16-14-24-28-21-13-8-15-27-26(21)29-24/h2-13,15,18,22,25H,14,16-17H2,1H3,(H,27,28,29)
InChIKey
ZUBHBXLSMIUMAO-UHFFFAOYSA-N
Compound name
1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-3-methyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.20557 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 206.5
[M+Na]+ 449.19479 213.2
[M-H]- 425.19829 213.1
[M+NH4]+ 444.23939 211.8
[M+K]+ 465.16873 204.1
[M+H-H2O]+ 409.20283 192.7
[M+HCOO]- 471.20377 219.9
[M+CH3COO]- 485.21942 213.2
[M+Na-2H]- 447.18024 206.3
[M]+ 426.20502 204.6
[M]- 426.20612 204.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.