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 198.3
[M+Na]+ 432.14492 203.7
[M-H]- 408.14842 205.1
[M+NH4]+ 427.18952 208.7
[M+K]+ 448.11886 196.3
[M+H-H2O]+ 392.15296 187.2
[M+HCOO]- 454.15390 211.7
[M+CH3COO]- 468.16955 206.3
[M+Na-2H]- 430.13037 198.9
[M]+ 409.15515 199.6
[M]- 409.15625 199.6
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.