CID 146684710
Aeruginosin 670
Structural Information
- Molecular Formula
- C30H44Cl2N6O7
- SMILES
- CC(C)CC(C(=O)N1C2CC(CCC2CC1C(=O)NC3CCCN(C3O)C(=N)N)O)NC(=O)C(CC4=CC(=C(C(=C4)Cl)O)Cl)O
- InChI
- InChI=1S/C30H44Cl2N6O7/c1-14(2)8-21(36-27(43)24(40)11-15-9-18(31)25(41)19(32)10-15)29(45)38-22-13-17(39)6-5-16(22)12-23(38)26(42)35-20-4-3-7-37(28(20)44)30(33)34/h9-10,14,16-17,20-24,28,39-41,44H,3-8,11-13H2,1-2H3,(H3,33,34)(H,35,42)(H,36,43)
- InChIKey
- BWARWHZEWXIALB-UHFFFAOYSA-N
- Compound name
- N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[2-[[3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-4-methylpentanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 671.27211 | 219.5 |
[M+Na]+ | 693.25405 | 221.7 |
[M-H]- | 669.25755 | 217.0 |
[M+NH4]+ | 688.29865 | 221.2 |
[M+K]+ | 709.22799 | 219.7 |
[M+H-H2O]+ | 653.26209 | 201.0 |
[M+HCOO]- | 715.26303 | 223.1 |
[M+CH3COO]- | 729.27868 | 278.0 |
[M+Na-2H]- | 691.23950 | 245.8 |
[M]+ | 670.26428 | 243.1 |
[M]- | 670.26538 | 243.1 |
Literature stripe
Patent stripe
No patent data available for this compound.