CID 505933
Chembl318671
Structural Information
- Molecular Formula
- C11H17N3O5
- SMILES
- CCNC(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C
- InChI
- InChI=1S/C11H17N3O5/c1-3-13-10(16)9-8(14-5(2)15)6(12)4-7(19-9)11(17)18/h4,6,8-9H,3,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,8+,9+/m0/s1
- InChIKey
- QUVHYGBJORPKPR-NBEYISGCSA-N
- Compound name
- (2R,3R,4S)-3-acetamido-4-amino-2-(ethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.12410 | 162.4 |
[M+Na]+ | 294.10604 | 166.5 |
[M-H]- | 270.10954 | 164.7 |
[M+NH4]+ | 289.15064 | 175.4 |
[M+K]+ | 310.07998 | 166.8 |
[M+H-H2O]+ | 254.11408 | 155.2 |
[M+HCOO]- | 316.11502 | 181.9 |
[M+CH3COO]- | 330.13067 | 204.3 |
[M+Na-2H]- | 292.09149 | 162.1 |
[M]+ | 271.11627 | 159.7 |
[M]- | 271.11737 | 159.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.