CID 3053208
Brn 1407666
Structural Information
- Molecular Formula
- C13H19N3O9
- SMILES
- CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)N(C)N=O
- InChI
- InChI=1S/C13H19N3O9/c1-6(17)23-9-5-22-12(14-13(20)16(4)15-21)11(25-8(3)19)10(9)24-7(2)18/h9-12H,5H2,1-4H3,(H,14,20)/t9-,10-,11-,12-/m1/s1
- InChIKey
- KBLOEHMGPOSANZ-DDHJBXDOSA-N
- Compound name
- [(3R,4R,5R,6R)-4,5-diacetyloxy-6-[[methyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 362.11940 | 174.8 |
[M+Na]+ | 384.10134 | 177.9 |
[M-H]- | 360.10484 | 181.1 |
[M+NH4]+ | 379.14594 | 185.9 |
[M+K]+ | 400.07528 | 183.5 |
[M+H-H2O]+ | 344.10938 | 166.8 |
[M+HCOO]- | 406.11032 | 196.6 |
[M+CH3COO]- | 420.12597 | 225.8 |
[M+Na-2H]- | 382.08679 | 174.4 |
[M]+ | 361.11157 | 181.1 |
[M]- | 361.11267 | 181.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.