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 183.3
[M+Na]+ 376.16317 189.5
[M-H]- 352.16667 186.2
[M+NH4]+ 371.20777 192.3
[M+K]+ 392.13711 182.3
[M+H-H2O]+ 336.17121 173.3
[M+HCOO]- 398.17215 195.7
[M+CH3COO]- 412.18780 191.1
[M+Na-2H]- 374.14862 183.5
[M]+ 353.17340 179.1
[M]- 353.17450 179.1
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.