CID 210400

N-(4-(4-(o-chlorophenyl)-1-piperazinyl)butyl)-1,1-cyclopentanediacetimide hydrochloride

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H32ClN3O2/c24-19-7-1-2-8-20(19)26-15-13-25(14-16-26)11-5-6-12-27-21(28)17-23(18-22(27)29)9-3-4-10-23/h1-2,7-8H,3-6,9-18H2
InChIKey
PXIFALFYCJJOLC-UHFFFAOYSA-N
Compound name
8-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.2183 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 206.0
[M+Na]+ 440.20752 209.2
[M-H]- 416.21102 211.1
[M+NH4]+ 435.25212 216.0
[M+K]+ 456.18146 201.8
[M+H-H2O]+ 400.21556 193.5
[M+HCOO]- 462.21650 211.0
[M+CH3COO]- 476.23215 211.7
[M+Na-2H]- 438.19297 200.6
[M]+ 417.21775 199.6
[M]- 417.21885 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

patents stripe