CID 2477

Buspirone

Structural Information

Molecular Formula
C21H31N5O2
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChIKey
QWCRAEMEVRGPNT-UHFFFAOYSA-N
Compound name
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2676
References

36552
Patents

385.24777 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.25505 198.8
[M+Na]+ 408.23699 201.2
[M-H]- 384.24049 201.4
[M+NH4]+ 403.28159 206.1
[M+K]+ 424.21093 195.3
[M+H-H2O]+ 368.24503 184.5
[M+HCOO]- 430.24597 206.4
[M+CH3COO]- 444.26162 203.8
[M+Na-2H]- 406.22244 195.5
[M]+ 385.24722 190.2
[M]- 385.24832 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.