CID 117390
27391-26-0
Structural Information
- Molecular Formula
- C17H17N3O6S2
- SMILES
- CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)O
- InChI
- InChI=1S/C17H17N3O6S2/c1-11(21)16(17(22)18-12-3-7-14(26-2)8-4-12)20-19-13-5-9-15(10-6-13)27-28(23,24)25/h3-10,16H,1-2H3,(H,18,22)(H,23,24,25)
- InChIKey
- GZHGYMWESAAAKO-UHFFFAOYSA-N
- Compound name
- 1-methoxy-4-[[3-oxo-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 424.06316 | 194.6 |
[M+Na]+ | 446.04510 | 198.2 |
[M-H]- | 422.04860 | 201.1 |
[M+NH4]+ | 441.08970 | 203.6 |
[M+K]+ | 462.01904 | 194.4 |
[M+H-H2O]+ | 406.05314 | 185.2 |
[M+HCOO]- | 468.05408 | 208.4 |
[M+CH3COO]- | 482.06973 | 229.1 |
[M+Na-2H]- | 444.03055 | 197.2 |
[M]+ | 423.05533 | 199.9 |
[M]- | 423.05643 | 199.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.