CID 210165

21090-11-9

Structural Information

Molecular Formula
C23H33N3O2
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H33N3O2/c27-21-18-23(10-4-5-11-23)19-22(28)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-2-1-3-9-20/h1-3,8-9H,4-7,10-19H2
InChIKey
NSXIWGZHXBZYNQ-UHFFFAOYSA-N
Compound name
8-[4-(4-phenylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.25726 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 198.7
[M+Na]+ 406.24648 200.3
[M-H]- 382.24998 203.8
[M+NH4]+ 401.29108 208.9
[M+K]+ 422.22042 194.3
[M+H-H2O]+ 366.25452 186.0
[M+HCOO]- 428.25546 208.4
[M+CH3COO]- 442.27111 204.5
[M+Na-2H]- 404.23193 194.6
[M]+ 383.25671 189.8
[M]- 383.25781 189.8
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.