CID 480952
.beta.-hydroxy-hc-toxin
Structural Information
- Molecular Formula
- C21H34N4O6
- SMILES
- CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)CCO
- InChI
- InChI=1S/C21H34N4O6/c1-13-18(28)22-14(2)19(29)24-16(8-5-3-4-7-15(27)10-12-26)21(31)25-11-6-9-17(25)20(30)23-13/h13-14,16-17,26H,3-12H2,1-2H3,(H,22,28)(H,23,30)(H,24,29)
- InChIKey
- SKXHRBLNXBVFDD-UHFFFAOYSA-N
- Compound name
- 3-(8-hydroxy-6-oxooctyl)-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 439.25511 | 206.9 |
[M+Na]+ | 461.23705 | 209.9 |
[M-H]- | 437.24055 | 198.1 |
[M+NH4]+ | 456.28165 | 208.5 |
[M+K]+ | 477.21099 | 204.6 |
[M+H-H2O]+ | 421.24509 | 202.5 |
[M+HCOO]- | 483.24603 | 209.2 |
[M+CH3COO]- | 497.26168 | 219.3 |
[M+Na-2H]- | 459.22250 | 197.3 |
[M]+ | 438.24728 | 198.7 |
[M]- | 438.24838 | 198.7 |
Literature stripe
Patent stripe
No patent data available for this compound.