CID 9826580

N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide

Structural Information

Molecular Formula
C26H28Cl2N4O
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)
InChIKey
YJGPWNCHDJDGJR-UHFFFAOYSA-N
Compound name
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

482.16403 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.17131 215.9
[M+Na]+ 505.15325 220.1
[M-H]- 481.15675 221.5
[M+NH4]+ 500.19785 219.2
[M+K]+ 521.12719 210.6
[M+H-H2O]+ 465.16129 201.9
[M+HCOO]- 527.16223 220.6
[M+CH3COO]- 541.17788 220.8
[M+Na-2H]- 503.13870 214.8
[M]+ 482.16348 215.4
[M]- 482.16458 215.4
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

patents stripe