CID 56841095
5714-81-8
Structural Information
- Molecular Formula
- C23H26N2O9
- SMILES
- C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCO)N(C)C)O
- InChI
- InChI=1S/C23H26N2O9/c1-22(33)9-5-4-6-12(27)13(9)17(28)14-10(22)7-11-16(25(2)3)18(29)15(21(32)24-8-26)20(31)23(11,34)19(14)30/h4-6,10-11,16,26-28,31,33-34H,7-8H2,1-3H3,(H,24,32)/t10-,11-,16-,22+,23-/m0/s1
- InChIKey
- ZYFQITXBBDHERI-VKKJJJSGSA-N
- Compound name
- (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 475.17110 | 203.0 |
[M+Na]+ | 497.15304 | 209.3 |
[M-H]- | 473.15654 | 202.4 |
[M+NH4]+ | 492.19764 | 214.2 |
[M+K]+ | 513.12698 | 208.3 |
[M+H-H2O]+ | 457.16108 | 197.8 |
[M+HCOO]- | 519.16202 | 209.4 |
[M+CH3COO]- | 533.17767 | 241.2 |
[M+Na-2H]- | 495.13849 | 204.7 |
[M]+ | 474.16327 | 203.3 |
[M]- | 474.16437 | 203.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.