CID 3061352

Brn 4584444

Structural Information

Molecular Formula
C25H31NO4
SMILES
CCC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)(C3=CC=CC=C3)O)C(=O)C
InChI
InChI=1S/C25H31NO4/c1-3-23(28)20-10-11-24(22(18-20)19(2)27)30-17-7-14-26-15-12-25(29,13-16-26)21-8-5-4-6-9-21/h4-6,8-11,18,29H,3,7,12-17H2,1-2H3
InChIKey
JKXUXOPARUVZSV-UHFFFAOYSA-N
Compound name
1-[3-acetyl-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

409.2253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.23258 201.7
[M+Na]+ 432.21452 204.4
[M-H]- 408.21802 207.1
[M+NH4]+ 427.25912 211.1
[M+K]+ 448.18846 200.0
[M+H-H2O]+ 392.22256 191.3
[M+HCOO]- 454.22350 215.5
[M+CH3COO]- 468.23915 223.3
[M+Na-2H]- 430.19997 199.8
[M]+ 409.22475 200.7
[M]- 409.22585 200.7
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.