CID 169408274

(2r)-2-(3,4-dichlorophenyl)-n-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide

Structural Information

Molecular Formula
C20H18Cl2N2O3
SMILES
COCCO[C@H](C1=CC(=C(C=C1)Cl)Cl)C(=O)NC2=CN=CC3=CC=CC=C32
InChI
InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
InChIKey
NBMMVUFIILVGST-LJQANCHMSA-N
Compound name
(2R)-2-(3,4-dichlorophenyl)-N-isoquinolin-4-yl-2-(2-methoxyethoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.06946 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07674 189.6
[M+Na]+ 427.05868 197.3
[M-H]- 403.06218 194.8
[M+NH4]+ 422.10328 201.0
[M+K]+ 443.03262 191.1
[M+H-H2O]+ 387.06672 181.2
[M+HCOO]- 449.06766 200.6
[M+CH3COO]- 463.08331 222.5
[M+Na-2H]- 425.04413 192.7
[M]+ 404.06891 196.5
[M]- 404.07001 196.5
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

No patent data available for this compound.