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]+ 355.201616 186.2
[M+Na]+ 377.183558 188.8
[M-H]- 353.187064 190.6
[M+NH4]+ 372.228163 197.0
[M+K]+ 393.157498 183.6
[M+H-H2O]+ 337.191600 176.4
[M+HCOO]- 399.192541 201.7
[M+CH3COO]- 413.208191 210.3
[M+Na-2H]- 375.169006 188.3
[M]+ 354.19379142 180.9
[M]- 354.19488858 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.