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]+ 354.181226 183.3
[M+Na]+ 376.163168 189.5
[M-H]- 352.166674 186.2
[M+NH4]+ 371.207773 192.3
[M+K]+ 392.137108 182.3
[M+H-H2O]+ 336.171210 173.3
[M+HCOO]- 398.172151 195.7
[M+CH3COO]- 412.187801 191.1
[M+Na-2H]- 374.148616 183.5
[M]+ 353.17340142 179.1
[M]- 353.17449858 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.