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]+ 429.249646 206.6
[M+Na]+ 451.231588 206.5
[M-H]- 427.235094 212.0
[M+NH4]+ 446.276193 213.9
[M+K]+ 467.205528 197.3
[M+H-H2O]+ 411.239630 198.6
[M+HCOO]- 473.240571 217.1
[M+CH3COO]- 487.256221 220.2
[M+Na-2H]- 449.217036 205.1
[M]+ 428.24182142 196.6
[M]- 428.24291858 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.