CID 146684937
Microginin 747a
Structural Information
- Molecular Formula
- C36H50ClN5O10
- SMILES
- C1CC(N(C1)C(=O)C(CO)NC(=O)C(C(CCCCCCCCl)N)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
- InChI
- InChI=1S/C36H50ClN5O10/c37-17-5-3-1-2-4-7-26(38)31(46)34(49)41-29(21-43)35(50)42-18-6-8-30(42)33(48)39-27(19-22-9-13-24(44)14-10-22)32(47)40-28(36(51)52)20-23-11-15-25(45)16-12-23/h9-16,26-31,43-46H,1-8,17-21,38H2,(H,39,48)(H,40,47)(H,41,49)(H,51,52)
- InChIKey
- IEFYVENCGJIZIJ-UHFFFAOYSA-N
- Compound name
- 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 748.33193 | 245.8 |
[M+Na]+ | 770.31387 | 247.5 |
[M-H]- | 746.31737 | 247.9 |
[M+NH4]+ | 765.35847 | 248.4 |
[M+K]+ | 786.28781 | 244.4 |
[M+H-H2O]+ | 730.32191 | 224.1 |
[M+HCOO]- | 792.32285 | 249.6 |
[M+CH3COO]- | 806.33850 | 287.6 |
[M+Na-2H]- | 768.29932 | 273.8 |
[M]+ | 747.32410 | 276.7 |
[M]- | 747.32520 | 276.7 |
Literature stripe
Patent stripe
No patent data available for this compound.