CID 210169

21098-20-4

Structural Information

Molecular Formula
C23H32FN3O2
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=CC=CC=C4F
InChI
InChI=1S/C23H32FN3O2/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
NTVGSMWQXBXQKA-UHFFFAOYSA-N
Compound name
8-[4-[4-(2-fluorophenyl)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

401.24786 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25514 202.3
[M+Na]+ 424.23708 204.9
[M-H]- 400.24058 206.4
[M+NH4]+ 419.28168 212.0
[M+K]+ 440.21102 198.4
[M+H-H2O]+ 384.24512 188.9
[M+HCOO]- 446.24606 210.9
[M+CH3COO]- 460.26171 207.9
[M+Na-2H]- 422.22253 196.9
[M]+ 401.24731 192.8
[M]- 401.24841 192.8
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.