CID 493117

Chembl296414

Structural Information

Molecular Formula
C24H33N3O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CN=CC=C3
InChI
InChI=1S/C24H33N3O2/c1-24(2,3)20-10-12-22(13-11-20)29-18-7-5-4-6-15-26-16-17-27(23(26)28)21-9-8-14-25-19-21/h8-14,19H,4-7,15-18H2,1-3H3
InChIKey
GSWCCHGGRAFTFL-UHFFFAOYSA-N
Compound name
1-[6-(4-tert-butylphenoxy)hexyl]-3-pyridin-3-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.25726 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 202.2
[M+Na]+ 418.24648 206.7
[M-H]- 394.24998 206.9
[M+NH4]+ 413.29108 210.8
[M+K]+ 434.22042 201.0
[M+H-H2O]+ 378.25452 190.7
[M+HCOO]- 440.25546 217.2
[M+CH3COO]- 454.27111 222.5
[M+Na-2H]- 416.23193 201.2
[M]+ 395.25671 204.1
[M]- 395.25781 204.1
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.