CID 6452175
9,10-anthracenedione, 1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
Structural Information
- Molecular Formula
- C45H24N6O6
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=NC(=NC(=N4)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O
- InChI
- InChI=1S/C45H24N6O6/c52-37-22-10-1-4-13-25(22)40(55)34-28(37)16-7-19-31(34)46-43-49-44(47-32-20-8-17-29-35(32)41(56)26-14-5-2-11-23(26)38(29)53)51-45(50-43)48-33-21-9-18-30-36(33)42(57)27-15-6-3-12-24(27)39(30)54/h1-21H,(H3,46,47,48,49,50,51)
- InChIKey
- YPAKPLSPBIYFAD-UHFFFAOYSA-N
- Compound name
- 1-[[4,6-bis[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 745.18298 | 261.5 |
[M+Na]+ | 767.16492 | 265.3 |
[M-H]- | 743.16842 | 271.8 |
[M+NH4]+ | 762.20952 | 255.4 |
[M+K]+ | 783.13886 | 259.0 |
[M+H-H2O]+ | 727.17296 | 239.8 |
[M+HCOO]- | 789.17390 | 267.2 |
[M+CH3COO]- | 803.18955 | 261.6 |
[M+Na-2H]- | 765.15037 | 266.1 |
[M]+ | 744.17515 | 259.3 |
[M]- | 744.17625 | 259.3 |
Literature stripe
No literature data available for this compound.