CID 53311869

Chembl2181239

Structural Information

Molecular Formula
C23H19Cl2N3O2
SMILES
C1CC1N2CCN(C3=CC=CC=C32)C(=O)C4=C(C=CN=C4)OC5=C(C=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2
InChIKey
GVSOSQXVSIDDOZ-UHFFFAOYSA-N
Compound name
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyridin-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

439.08542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09270 203.1
[M+Na]+ 462.07464 212.3
[M-H]- 438.07814 210.3
[M+NH4]+ 457.11924 205.5
[M+K]+ 478.04858 203.9
[M+H-H2O]+ 422.08268 190.9
[M+HCOO]- 484.08362 209.0
[M+CH3COO]- 498.09927 209.9
[M+Na-2H]- 460.06009 203.3
[M]+ 439.08487 206.8
[M]- 439.08597 206.8
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

patents stripe