CID 3050229

Brn 1506186

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCC(=O)C1=CC=C(C=C1)OCCCN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H29NO3/c1-2-22(25)19-9-11-21(12-10-19)27-18-6-15-24-16-13-23(26,14-17-24)20-7-4-3-5-8-20/h3-5,7-12,26H,2,6,13-18H2,1H3
InChIKey
MFDYZWXNHNVQMQ-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 192.0
[M+Na]+ 390.203968 194.9
[M-H]- 366.207474 197.4
[M+NH4]+ 385.248573 203.2
[M+K]+ 406.177908 190.0
[M+H-H2O]+ 350.212010 181.6
[M+HCOO]- 412.212951 207.2
[M+CH3COO]- 426.228601 213.9
[M+Na-2H]- 388.189416 192.7
[M]+ 367.21420142 189.7
[M]- 367.21529858 189.7
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.