CID 118617
Disperse red 91
Structural Information
- Molecular Formula
- C20H21NO5
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCCCCCO)N
- InChI
- InChI=1S/C20H21NO5/c21-18-15(26-10-6-2-1-5-9-22)11-14(23)16-17(18)20(25)13-8-4-3-7-12(13)19(16)24/h3-4,7-8,11,22-23H,1-2,5-6,9-10,21H2
- InChIKey
- RQLMZSLFKGNXTO-UHFFFAOYSA-N
- Compound name
- 1-amino-4-hydroxy-2-(6-hydroxyhexoxy)anthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 356.14925 | 181.7 |
[M+Na]+ | 378.13119 | 189.5 |
[M-H]- | 354.13469 | 184.0 |
[M+NH4]+ | 373.17579 | 195.2 |
[M+K]+ | 394.10513 | 184.2 |
[M+H-H2O]+ | 338.13923 | 174.2 |
[M+HCOO]- | 400.14017 | 199.0 |
[M+CH3COO]- | 414.15582 | 216.3 |
[M+Na-2H]- | 376.11664 | 184.1 |
[M]+ | 355.14142 | 184.3 |
[M]- | 355.14252 | 184.3 |
Literature stripe
No literature data available for this compound.