CID 103229
1-((ethoxycarbonyl)amino)-4-hydroxyanthraquinone
Structural Information
- Molecular Formula
- C17H13NO5
- SMILES
- CCOC(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
- InChI
- InChI=1S/C17H13NO5/c1-2-23-17(22)18-11-7-8-12(19)14-13(11)15(20)9-5-3-4-6-10(9)16(14)21/h3-8,19H,2H2,1H3,(H,18,22)
- InChIKey
- FRCUOSOKVVEYMN-UHFFFAOYSA-N
- Compound name
- ethyl N-(4-hydroxy-9,10-dioxoanthracen-1-yl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 312.08666 | 166.0 |
[M+Na]+ | 334.06860 | 174.8 |
[M-H]- | 310.07210 | 170.6 |
[M+NH4]+ | 329.11320 | 182.0 |
[M+K]+ | 350.04254 | 171.2 |
[M+H-H2O]+ | 294.07664 | 158.9 |
[M+HCOO]- | 356.07758 | 185.8 |
[M+CH3COO]- | 370.09323 | 207.6 |
[M+Na-2H]- | 332.05405 | 171.1 |
[M]+ | 311.07883 | 168.5 |
[M]- | 311.07993 | 168.5 |
Literature stripe
No literature data available for this compound.