CID 74258
2-[(p-nitrophenyl)azo]acetoacetanilide
Structural Information
- Molecular Formula
- C16H14N4O4
- SMILES
- CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C16H14N4O4/c1-11(21)15(16(22)17-12-5-3-2-4-6-12)19-18-13-7-9-14(10-8-13)20(23)24/h2-10,15H,1H3,(H,17,22)
- InChIKey
- WTRHKEHRZMLLDH-UHFFFAOYSA-N
- Compound name
- 2-[(4-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.10878 | 171.8 |
[M+Na]+ | 349.09072 | 174.5 |
[M-H]- | 325.09422 | 180.5 |
[M+NH4]+ | 344.13532 | 184.0 |
[M+K]+ | 365.06466 | 169.4 |
[M+H-H2O]+ | 309.09876 | 166.5 |
[M+HCOO]- | 371.09970 | 200.2 |
[M+CH3COO]- | 385.11535 | 212.8 |
[M+Na-2H]- | 347.07617 | 178.0 |
[M]+ | 326.10095 | 170.6 |
[M]- | 326.10205 | 170.6 |