CID 59964599

5-hydroxy buspirone

Structural Information

Molecular Formula
C21H31N5O3
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=C(C=N4)O
InChI
InChI=1S/C21H31N5O3/c27-17-15-22-20(23-16-17)25-11-9-24(10-12-25)7-3-4-8-26-18(28)13-21(14-19(26)29)5-1-2-6-21/h15-16,27H,1-14H2
InChIKey
WKAUDMPUKWYRBF-UHFFFAOYSA-N
Compound name
8-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

401.24268 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24996 201.5
[M+Na]+ 424.23190 211.0
[M+NH4]+ 419.27650 207.1
[M+K]+ 440.20584 204.9
[M-H]- 400.23540 203.5
[M+Na-2H]- 422.21735 205.8
[M]+ 401.24213 203.0
[M]- 401.24323 203.0
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