CID 493103

Chembl42830

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
COC1=CC(=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3)Cl
InChI
InChI=1S/C21H26ClN3O3/c1-27-18-6-7-20(19(22)16-18)28-15-5-3-2-4-12-24-13-14-25(21(24)26)17-8-10-23-11-9-17/h6-11,16H,2-5,12-15H2,1H3
InChIKey
RHIGKUODQJBOFU-UHFFFAOYSA-N
Compound name
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.16626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 197.2
[M+Na]+ 426.15548 203.9
[M-H]- 402.15898 202.0
[M+NH4]+ 421.20008 206.3
[M+K]+ 442.12942 197.5
[M+H-H2O]+ 386.16352 185.6
[M+HCOO]- 448.16446 210.2
[M+CH3COO]- 462.18011 220.7
[M+Na-2H]- 424.14093 195.6
[M]+ 403.16571 202.3
[M]- 403.16681 202.3
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.