CID 4145795
55691-89-9
Structural Information
- Molecular Formula
- C18H15N3O5S
- SMILES
- CC(=O)NC1=CC(=C(C2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C18H15N3O5S/c1-12(22)19-16-11-17(21(23)24)18(15-10-6-5-9-14(15)16)20-27(25,26)13-7-3-2-4-8-13/h2-11,20H,1H3,(H,19,22)
- InChIKey
- DPMOCQDIQBGLBA-UHFFFAOYSA-N
- Compound name
- N-[4-(benzenesulfonamido)-3-nitronaphthalen-1-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 386.08052 | 181.7 |
[M+Na]+ | 408.06246 | 186.3 |
[M-H]- | 384.06596 | 188.8 |
[M+NH4]+ | 403.10706 | 192.3 |
[M+K]+ | 424.03640 | 177.8 |
[M+H-H2O]+ | 368.07050 | 177.4 |
[M+HCOO]- | 430.07144 | 200.3 |
[M+CH3COO]- | 444.08709 | 214.3 |
[M+Na-2H]- | 406.04791 | 190.3 |
[M]+ | 385.07269 | 181.7 |
[M]- | 385.07379 | 181.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.