CID 2853835
111535-67-2
Structural Information
- Molecular Formula
- C16H17N3O6
- SMILES
- CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C
- InChI
- InChI=1S/C16H17N3O6/c1-4-25-15(21)13-9(2)17-16(22)18(10(3)20)14(13)11-6-5-7-12(8-11)19(23)24/h5-8,14H,4H2,1-3H3,(H,17,22)
- InChIKey
- UMPJPEONKFXGFT-UHFFFAOYSA-N
- Compound name
- ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 348.11900 | 176.7 |
[M+Na]+ | 370.10094 | 182.6 |
[M-H]- | 346.10444 | 179.8 |
[M+NH4]+ | 365.14554 | 185.6 |
[M+K]+ | 386.07488 | 175.6 |
[M+H-H2O]+ | 330.10898 | 172.5 |
[M+HCOO]- | 392.10992 | 193.8 |
[M+CH3COO]- | 406.12557 | 204.9 |
[M+Na-2H]- | 368.08639 | 178.2 |
[M]+ | 347.11117 | 175.5 |
[M]- | 347.11227 | 175.5 |
Literature stripe
No literature data available for this compound.