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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 402.24996 | 201.9 |
[M+Na]+ | 424.23190 | 204.6 |
[M-H]- | 400.23540 | 203.7 |
[M+NH4]+ | 419.27650 | 208.1 |
[M+K]+ | 440.20584 | 198.6 |
[M+H-H2O]+ | 384.23994 | 188.5 |
[M+HCOO]- | 446.24088 | 208.2 |
[M+CH3COO]- | 460.25653 | 206.5 |
[M+Na-2H]- | 422.21735 | 197.9 |
[M]+ | 401.24213 | 193.5 |
[M]- | 401.24323 | 193.5 |