CID 175210
72829-42-6
Structural Information
- Molecular Formula
- C22H23N3O6S
- SMILES
- CC(=O)NC1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
- InChI
- InChI=1S/C22H23N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-5,10,12-13,25H,6-9,23H2,1H3,(H,24,26)(H,29,30,31)
- InChIKey
- XGQGXAZXNGYQRB-UHFFFAOYSA-N
- Compound name
- 4-[(4-acetamidocyclohexyl)amino]-1-amino-9,10-dioxoanthracene-2-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.13805 | 198.9 |
[M+Na]+ | 480.11999 | 203.1 |
[M-H]- | 456.12349 | 203.9 |
[M+NH4]+ | 475.16459 | 207.5 |
[M+K]+ | 496.09393 | 198.8 |
[M+H-H2O]+ | 440.12803 | 191.1 |
[M+HCOO]- | 502.12897 | 208.8 |
[M+CH3COO]- | 516.14462 | 239.4 |
[M+Na-2H]- | 478.10544 | 201.6 |
[M]+ | 457.13022 | 197.1 |
[M]- | 457.13132 | 197.1 |
Literature stripe
No literature data available for this compound.