CID 3058018

((hydroxy-4 phenyl)-2 hydroxy-2) ethyl-1 (oxo-2 benzimidazolinyl-1)-4 piperidine [french]

Structural Information

Molecular Formula
C20H23N3O3
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H23N3O3/c24-16-7-5-14(6-8-16)19(25)13-22-11-9-15(10-12-22)23-18-4-2-1-3-17(18)21-20(23)26/h1-8,15,19,24-25H,9-13H2,(H,21,26)
InChIKey
CAEPFRLYQDMVOO-UHFFFAOYSA-N
Compound name
3-[1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 184.9
[M+Na]+ 376.16317 198.0
[M+NH4]+ 371.20777 190.9
[M+K]+ 392.13711 193.5
[M-H]- 352.16667 187.9
[M+Na-2H]- 374.14862 190.9
[M]+ 353.17340 187.4
[M]- 353.17450 187.4
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.