CID 56950821

Chembl4217154

Structural Information

Molecular Formula
C25H27Cl2N5O2
SMILES
C1CN(CCN1CC2CN(C(=O)O2)CCNC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5Cl
InChI
InChI=1S/C25H27Cl2N5O2/c26-18-5-6-20-22(7-8-28-23(20)15-18)29-9-10-32-17-19(34-25(32)33)16-30-11-13-31(14-12-30)24-4-2-1-3-21(24)27/h1-8,15,19H,9-14,16-17H2,(H,28,29)
InChIKey
PFTQGDYPAJVTLN-UHFFFAOYSA-N
Compound name
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

499.15417 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.16145 221.5
[M+Na]+ 522.14339 227.3
[M-H]- 498.14689 227.9
[M+NH4]+ 517.18799 224.5
[M+K]+ 538.11733 219.3
[M+H-H2O]+ 482.15143 207.2
[M+HCOO]- 544.15237 222.9
[M+CH3COO]- 558.16802 226.3
[M+Na-2H]- 520.12884 217.9
[M]+ 499.15362 221.1
[M]- 499.15472 221.1
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.