CID 210940

4-(3-((3,5-dichlorophenyl)-4-pyridinylamino)-1-oxopropyl)morpholine mono(2-hydroxybenzoate)

Structural Information

Molecular Formula
C18H19Cl2N3O2
SMILES
C1COCCN1C(=O)CCN(C2=CC=NC=C2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H19Cl2N3O2/c19-14-11-15(20)13-17(12-14)23(16-1-4-21-5-2-16)6-3-18(24)22-7-9-25-10-8-22/h1-2,4-5,11-13H,3,6-10H2
InChIKey
AKIHAKQGGGPNCN-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-N-pyridin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.08542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09270 186.6
[M+Na]+ 402.07464 201.5
[M+NH4]+ 397.11924 194.2
[M+K]+ 418.04858 193.1
[M-H]- 378.07814 193.3
[M+Na-2H]- 400.06009 195.2
[M]+ 379.08487 191.2
[M]- 379.08597 191.2
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.