CID 155802303
Aranazole a
Structural Information
- Molecular Formula
- C24H32Cl5NO5S
- SMILES
- CCC(CC(/C=C\[C@@H]1[C@H](O1)C(C(C(C[C@@H]2[C@H]([C@@H](OCO2)C(C3=NC(=CS3)C(=O)C)O)C)Cl)Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C24H32Cl5NO5S/c1-4-13(25)7-14(26)5-6-17-23(35-17)20(29)19(28)15(27)8-18-11(2)22(34-10-33-18)21(32)24-30-16(9-36-24)12(3)31/h5-6,9,11,13-15,17-23,32H,4,7-8,10H2,1-3H3/b6-5-/t11-,13?,14?,15?,17-,18-,19?,20?,21?,22-,23+/m1/s1
- InChIKey
- RGMRJERYAWLGFL-DIOVLAQMSA-N
- Compound name
- 1-[2-[hydroxy-[(4R,5R,6R)-5-methyl-6-[2,3,4-trichloro-4-[(2S,3R)-3-[(Z)-3,5-dichlorohept-1-enyl]oxiran-2-yl]butyl]-1,3-dioxan-4-yl]methyl]-1,3-thiazol-4-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 622.05168 | 203.3 |
[M+Na]+ | 644.03362 | 203.7 |
[M-H]- | 620.03712 | 206.4 |
[M+NH4]+ | 639.07822 | 200.1 |
[M+K]+ | 660.00756 | 202.7 |
[M+H-H2O]+ | 604.04166 | 200.1 |
[M+HCOO]- | 666.04260 | 184.1 |
[M+CH3COO]- | 680.05825 | 251.5 |
[M+Na-2H]- | 642.01907 | 191.8 |
[M]+ | 621.04385 | 210.1 |
[M]- | 621.04495 | 210.1 |
Literature stripe
Patent stripe
No patent data available for this compound.