CID 457632
Sulfone der
Structural Information
- Molecular Formula
- C22H16N2O4S
- SMILES
- C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N
- InChI
- InChI=1S/C22H16N2O4S/c23-14-5-9-16(10-6-14)29(27,28)17-11-7-15(8-12-17)24-20-13-21(25)18-3-1-2-4-19(18)22(20)26/h1-13,24H,23H2
- InChIKey
- XZZOFWAFBJMBRM-UHFFFAOYSA-N
- Compound name
- 2-[4-(4-aminophenyl)sulfonylanilino]naphthalene-1,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 405.09035 | 192.9 |
[M+Na]+ | 427.07229 | 201.1 |
[M-H]- | 403.07579 | 203.1 |
[M+NH4]+ | 422.11689 | 203.7 |
[M+K]+ | 443.04623 | 194.5 |
[M+H-H2O]+ | 387.08033 | 183.5 |
[M+HCOO]- | 449.08127 | 210.1 |
[M+CH3COO]- | 463.09692 | 225.5 |
[M+Na-2H]- | 425.05774 | 197.4 |
[M]+ | 404.08252 | 193.6 |
[M]- | 404.08362 | 193.6 |