CID 77483
3875-70-5
Structural Information
- Molecular Formula
- C16H12N2O8S2
- SMILES
- C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)OS(=O)(=O)O)OS(=O)(=O)O
- InChI
- InChI=1S/C16H12N2O8S2/c19-27(20,21)25-15-9-5-1-3-7-11(9)17-13(15)14-16(26-28(22,23)24)10-6-2-4-8-12(10)18-14/h1-8,17-18H,(H,19,20,21)(H,22,23,24)
- InChIKey
- OENFPODHAPSOMQ-UHFFFAOYSA-N
- Compound name
- [2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.01078 | 193.7 |
[M+Na]+ | 446.99272 | 204.9 |
[M-H]- | 422.99622 | 196.7 |
[M+NH4]+ | 442.03732 | 204.7 |
[M+K]+ | 462.96666 | 199.8 |
[M+H-H2O]+ | 407.00076 | 190.6 |
[M+HCOO]- | 469.00170 | 202.0 |
[M+CH3COO]- | 483.01735 | 208.1 |
[M+Na-2H]- | 444.97817 | 200.1 |
[M]+ | 424.00295 | 202.3 |
[M]- | 424.00405 | 202.3 |
Literature stripe
No literature data available for this compound.