CID 135462821
Chembl552100
Structural Information
- Molecular Formula
- C26H18N2O8
- SMILES
- CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(CC4)C=C6C=NNC(=O)C6=C5O)C(=C3C2=O)O)OC)O
- InChI
- InChI=1S/C26H18N2O8/c1-8-13(29)6-12-17(20(8)30)24(34)19-18(21(12)31)23(33)16-11(25(19)36-2)4-3-9-5-10-7-27-28-26(35)15(10)22(32)14(9)16/h5-7,29-30,32-33H,3-4H2,1-2H3,(H,28,35)
- InChIKey
- DTNZJDVXGDQZPK-UHFFFAOYSA-N
- Compound name
- 3,19,21,26-tetrahydroxy-15-methoxy-20-methyl-6,7-diazahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,7,9,15,18,20,22,25-decaene-5,17,24-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 487.11360 | 216.0 |
[M+Na]+ | 509.09554 | 226.4 |
[M-H]- | 485.09904 | 216.4 |
[M+NH4]+ | 504.14014 | 222.3 |
[M+K]+ | 525.06948 | 221.0 |
[M+H-H2O]+ | 469.10358 | 205.4 |
[M+HCOO]- | 531.10452 | 219.9 |
[M+CH3COO]- | 545.12017 | 221.7 |
[M+Na-2H]- | 507.08099 | 218.0 |
[M]+ | 486.10577 | 218.8 |
[M]- | 486.10687 | 218.8 |