CID 169408361

2-(3-chlorophenyl)-n-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide

Structural Information

Molecular Formula
C23H24ClN3O2
SMILES
C1CCN(C1)CCOC2=CC3=CN=CC(=C3C=C2)NC(=O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H24ClN3O2/c24-19-5-3-4-17(12-19)13-23(28)26-22-16-25-15-18-14-20(6-7-21(18)22)29-11-10-27-8-1-2-9-27/h3-7,12,14-16H,1-2,8-11,13H2,(H,26,28)
InChIKey
MIPAPSMIEZDAGL-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-[7-(2-pyrrolidin-1-ylethoxy)isoquinolin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.1557 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16298 199.0
[M+Na]+ 432.14492 213.1
[M+NH4]+ 427.18952 206.7
[M+K]+ 448.11886 205.4
[M-H]- 408.14842 204.9
[M+Na-2H]- 430.13037 206.9
[M]+ 409.15515 202.9
[M]- 409.15625 202.9
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.