CID 169488
24,25,26-tribromopyranodine
Structural Information
- Molecular Formula
- C25H32Br3NO9
- SMILES
- CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=C(C(=C(N6)Br)Br)Br)(C(C)C)O)C)O)C)O
- InChI
- InChI=1S/C25H32Br3NO9/c1-9(2)22(34)17(37-16(31)13-11(26)12(27)15(28)29-13)23(35)18(4)8-21(33)19(22,5)25(23,36)24(38-21)14(30)10(3)6-7-20(18,24)32/h9-10,14,17,29-30,32-36H,6-8H2,1-5H3
- InChIKey
- BQSPTYKMBASMDW-UHFFFAOYSA-N
- Compound name
- (2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 3,4,5-tribromo-1H-pyrrole-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 727.96998 | 274.6 |
[M+Na]+ | 749.95192 | 276.7 |
[M-H]- | 725.95542 | 274.6 |
[M+NH4]+ | 744.99652 | 275.5 |
[M+K]+ | 765.92586 | 276.9 |
[M+H-H2O]+ | 709.95996 | 270.0 |
[M+HCOO]- | 771.96090 | 276.4 |
[M+CH3COO]- | 785.97655 | 278.3 |
[M+Na-2H]- | 747.93737 | 276.5 |
[M]+ | 726.96215 | 275.2 |
[M]- | 726.96325 | 275.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.