CID 9588991
128948-02-7
Structural Information
- Molecular Formula
- C33H41N3O9
- SMILES
- CCCC/C(=N/N=C(\C)/C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O)/C
- InChI
- InChI=1S/C33H41N3O9/c1-6-7-9-15(2)35-36-17(4)33(42)13-19-25(22(14-33)45-23-12-20(34)28(37)16(3)44-23)32(41)27-26(30(19)39)29(38)18-10-8-11-21(43-5)24(18)31(27)40/h8,10-11,16,20,22-23,28,37,39,41-42H,6-7,9,12-14,34H2,1-5H3/b35-15+,36-17+
- InChIKey
- MSEZZZNMOAREJA-CURZXTPHSA-N
- Compound name
- 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-hexan-2-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 624.29158 | 248.0 |
[M+Na]+ | 646.27352 | 250.0 |
[M-H]- | 622.27702 | 252.5 |
[M+NH4]+ | 641.31812 | 250.6 |
[M+K]+ | 662.24746 | 250.4 |
[M+H-H2O]+ | 606.28156 | 238.2 |
[M+HCOO]- | 668.28250 | 253.1 |
[M+CH3COO]- | 682.29815 | 280.5 |
[M+Na-2H]- | 644.25897 | 273.3 |
[M]+ | 623.28375 | 249.4 |
[M]- | 623.28485 | 249.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.