CID 493873
Chembl81790
Structural Information
- Molecular Formula
- C14H24N4O4
- SMILES
- CCCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=C(N)N)C(=O)O
- InChI
- InChI=1S/C14H24N4O4/c1-3-4-5-22-11-7-9(13(20)21)6-10(18-14(15)16)12(11)17-8(2)19/h7,10-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11+,12+/m0/s1
- InChIKey
- KSPORGXVFPIYIQ-QJPTWQEYSA-N
- Compound name
- (3R,4R,5S)-4-acetamido-3-butoxy-5-(diaminomethylideneamino)cyclohexene-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.18703 | 173.5 |
[M+Na]+ | 335.16897 | 175.9 |
[M-H]- | 311.17247 | 175.4 |
[M+NH4]+ | 330.21357 | 186.2 |
[M+K]+ | 351.14291 | 175.1 |
[M+H-H2O]+ | 295.17701 | 165.6 |
[M+HCOO]- | 357.17795 | 194.6 |
[M+CH3COO]- | 371.19360 | 218.0 |
[M+Na-2H]- | 333.15442 | 170.8 |
[M]+ | 312.17920 | 170.0 |
[M]- | 312.18030 | 170.0 |
Literature stripe
Patent stripe
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