CID 2856734

Accralastic

Structural Information

Molecular Formula
C23H29NO3
SMILES
C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O
InChI
InChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2
InChIKey
DMYOHQBLOZMDLP-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

8494
Patents

367.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 192.4
[M+Na]+ 390.20397 204.2
[M+NH4]+ 385.24857 199.1
[M+K]+ 406.17791 196.3
[M-H]- 366.20747 197.0
[M+Na-2H]- 388.18942 199.8
[M]+ 367.21420 195.3
[M]- 367.21530 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe