CID 47408

Brn 1511527

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC(=O)NC1=CC(=CC=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C22H28N2O4/c1-17(25)23-19-8-5-9-21(14-19)28-16-20(26)15-24-12-10-22(27,11-13-24)18-6-3-2-4-7-18/h2-9,14,20,26-27H,10-13,15-16H2,1H3,(H,23,25)
InChIKey
GVSMPRUROIZFID-UHFFFAOYSA-N
Compound name
N-[3-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.2
[M+Na]+ 407.19412 204.3
[M+NH4]+ 402.23872 201.0
[M+K]+ 423.16806 196.5
[M-H]- 383.19762 198.1
[M+Na-2H]- 405.17957 201.9
[M]+ 384.20435 196.6
[M]- 384.20545 196.6
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.