CID 212829

25024-80-0

Structural Information

Molecular Formula
C23H32N4O4
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H32N4O4/c28-21-17-23(9-3-4-10-23)18-22(29)26(21)12-6-5-11-24-13-15-25(16-14-24)19-7-1-2-8-20(19)27(30)31/h1-2,7-8H,3-6,9-18H2
InChIKey
BRJKSJCCTZEQFK-UHFFFAOYSA-N
Compound name
8-[4-[4-(2-nitrophenyl)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

428.24237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.24965 206.6
[M+Na]+ 451.23159 206.5
[M-H]- 427.23509 212.0
[M+NH4]+ 446.27619 213.9
[M+K]+ 467.20553 197.3
[M+H-H2O]+ 411.23963 198.6
[M+HCOO]- 473.24057 217.1
[M+CH3COO]- 487.25622 220.2
[M+Na-2H]- 449.21704 205.1
[M]+ 428.24182 196.6
[M]- 428.24292 196.6
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.