CID 169329
Kjy26zx6v6
Structural Information
- Molecular Formula
- C20H19N2O4S
- SMILES
- CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3O)[N+]#N
- InChI
- InChI=1S/C20H18N2O4S/c1-20(2,3)13-7-9-14(10-8-13)26-27(24,25)18-6-4-5-16-15(18)11-12-17(22-21)19(16)23/h4-12H,1-3H3/p+1
- InChIKey
- XPOZBIYYMBIUAO-UHFFFAOYSA-O
- Compound name
- 5-(4-tert-butylphenoxy)sulfonyl-1-hydroxynaphthalene-2-diazonium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 384.11385 | 206.7 |
[M+Na]+ | 406.09579 | 217.0 |
[M-H]- | 382.09929 | 213.5 |
[M+NH4]+ | 401.14039 | 217.8 |
[M+K]+ | 422.06973 | 206.2 |
[M+H-H2O]+ | 366.10383 | 195.0 |
[M+HCOO]- | 428.10477 | 218.5 |
[M+CH3COO]- | 442.12042 | 221.0 |
[M+Na-2H]- | 404.08124 | 212.4 |
[M]+ | 383.10602 | 205.0 |
[M]- | 383.10712 | 205.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.