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]+ 368.22203 192.0
[M+Na]+ 390.20397 194.9
[M-H]- 366.20747 197.4
[M+NH4]+ 385.24857 203.2
[M+K]+ 406.17791 190.0
[M+H-H2O]+ 350.21201 181.6
[M+HCOO]- 412.21295 207.2
[M+CH3COO]- 426.22860 213.9
[M+Na-2H]- 388.18942 192.7
[M]+ 367.21420 189.7
[M]- 367.21530 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.