CID 9953237

Chembl286294

Structural Information

Molecular Formula
C25H26ClNO2
SMILES
COC1=C(C=C(C=C1)[C@H](CC2=CC=NC=C2)C3=CC=C(C=C3)Cl)OC4CCCC4
InChI
InChI=1S/C25H26ClNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3/t23-/m1/s1
InChIKey
PUMZWWFKADZJCP-HSZRJFAPSA-N
Compound name
4-[(2R)-2-(4-chlorophenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.1652 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17248 200.4
[M+Na]+ 430.15442 205.5
[M-H]- 406.15792 210.6
[M+NH4]+ 425.19902 211.2
[M+K]+ 446.12836 198.4
[M+H-H2O]+ 390.16246 189.4
[M+HCOO]- 452.16340 214.7
[M+CH3COO]- 466.17905 209.0
[M+Na-2H]- 428.13987 198.3
[M]+ 407.16465 201.8
[M]- 407.16575 201.8
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

No patent data available for this compound.