CID 502281
Chembl1183504
Structural Information
- Molecular Formula
- C15H26N4O7
- SMILES
- CCCO[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O
- InChI
- InChI=1S/C15H26N4O7/c1-3-4-25-12(9(22)6-20)13-11(18-7(2)21)8(19-15(16)17)5-10(26-13)14(23)24/h5,8-9,11-13,20,22H,3-4,6H2,1-2H3,(H,18,21)(H,23,24)(H4,16,17,19)/t8-,9+,11+,12+,13+/m0/s1
- InChIKey
- PFUSBAPXPQZUIJ-IINAIABHSA-N
- Compound name
- (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-propoxypropyl]-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]+ | 375.18743 | 188.7 |
[M+Na]+ | 397.16937 | 188.8 |
[M-H]- | 373.17287 | 188.3 |
[M+NH4]+ | 392.21397 | 195.7 |
[M+K]+ | 413.14331 | 190.5 |
[M+H-H2O]+ | 357.17741 | 180.2 |
[M+HCOO]- | 419.17835 | 204.1 |
[M+CH3COO]- | 433.19400 | 226.8 |
[M+Na-2H]- | 395.15482 | 183.4 |
[M]+ | 374.17960 | 185.5 |
[M]- | 374.18070 | 185.5 |
Literature stripe
Patent stripe
No patent data available for this compound.