CID 198043

25552-58-3

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1CN(CCC1(CNC(=O)C2=CC=CC=C2O)O)CCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O3/c24-19-9-5-4-8-18(19)20(25)22-16-21(26)11-14-23(15-12-21)13-10-17-6-2-1-3-7-17/h1-9,24,26H,10-16H2,(H,22,25)
InChIKey
FBKOVPOKPNLHEK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.2
[M+Na]+ 377.18356 188.8
[M-H]- 353.18706 190.6
[M+NH4]+ 372.22816 197.0
[M+K]+ 393.15750 183.6
[M+H-H2O]+ 337.19160 176.4
[M+HCOO]- 399.19254 201.7
[M+CH3COO]- 413.20819 210.3
[M+Na-2H]- 375.16901 188.3
[M]+ 354.19379 180.9
[M]- 354.19489 180.9
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.