CID 420806
24108-92-7
Structural Information
- Molecular Formula
- C24H21NO6S
- SMILES
- CCCCS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
- InChI
- InChI=1S/C24H21NO6S/c1-2-3-12-32(29,30)15-10-8-14(9-11-15)31-19-13-18(26)20-21(22(19)25)24(28)17-7-5-4-6-16(17)23(20)27/h4-11,13,26H,2-3,12,25H2,1H3
- InChIKey
- GSLQYSYCMSQUAE-UHFFFAOYSA-N
- Compound name
- 1-amino-2-(4-butylsulfonylphenoxy)-4-hydroxyanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.11623 | 204.6 |
[M+Na]+ | 474.09817 | 212.8 |
[M-H]- | 450.10167 | 211.1 |
[M+NH4]+ | 469.14277 | 214.6 |
[M+K]+ | 490.07211 | 207.2 |
[M+H-H2O]+ | 434.10621 | 196.0 |
[M+HCOO]- | 496.10715 | 217.1 |
[M+CH3COO]- | 510.12280 | 233.0 |
[M+Na-2H]- | 472.08362 | 207.4 |
[M]+ | 451.10840 | 209.9 |
[M]- | 451.10950 | 209.9 |
Literature stripe
Patent stripe
No patent data available for this compound.