CID 5278464

Chembl191452

Structural Information

Molecular Formula
C24H24ClN3O3
SMILES
C1CN(C(=O)N1CCOCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI
InChI=1S/C24H24ClN3O3/c25-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-27-13-14-28(24(27)29)22-9-11-26-12-10-22/h1-12H,13-18H2
InChIKey
LBSXSEXFCNECKK-UHFFFAOYSA-N
Compound name
1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.1506 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15788 205.3
[M+Na]+ 460.13982 211.7
[M-H]- 436.14332 213.1
[M+NH4]+ 455.18442 212.1
[M+K]+ 476.11376 204.2
[M+H-H2O]+ 420.14786 192.0
[M+HCOO]- 482.14880 218.3
[M+CH3COO]- 496.16445 213.0
[M+Na-2H]- 458.12527 204.1
[M]+ 437.15005 208.6
[M]- 437.15115 208.6
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.