CID 3021337

Brn 4569846

Structural Information

Molecular Formula
C25H31NO2
SMILES
C1CC(C=C1)C2=CC=C(C=C2)OCCCN3CCC(CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H31NO2/c27-25(23-9-2-1-3-10-23)15-18-26(19-16-25)17-6-20-28-24-13-11-22(12-14-24)21-7-4-5-8-21/h1-4,7,9-14,21,27H,5-6,8,15-20H2
InChIKey
PDNYKRYUQFVIET-UHFFFAOYSA-N
Compound name
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 194.9
[M+Na]+ 400.22469 197.3
[M-H]- 376.22819 203.2
[M+NH4]+ 395.26929 207.1
[M+K]+ 416.19863 191.0
[M+H-H2O]+ 360.23273 183.8
[M+HCOO]- 422.23367 210.7
[M+CH3COO]- 436.24932 202.6
[M+Na-2H]- 398.21014 193.9
[M]+ 377.23492 189.8
[M]- 377.23602 189.8
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.