CID 210940

21937-22-4

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 186.8
[M+Na]+ 402.07464 191.9
[M-H]- 378.07814 193.5
[M+NH4]+ 397.11924 195.3
[M+K]+ 418.04858 187.4
[M+H-H2O]+ 362.08268 176.0
[M+HCOO]- 424.08362 194.4
[M+CH3COO]- 438.09927 195.1
[M+Na-2H]- 400.06009 188.6
[M]+ 379.08487 188.2
[M]- 379.08597 188.2
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.