CID 24212590
853313-68-5
Structural Information
- Molecular Formula
- C17H15BrN2O4
- SMILES
- CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC=CC=C3Br)C(=O)OC
- InChI
- InChI=1S/C17H15BrN2O4/c1-9-14(16(21)23-2)15(20-17(22)19-9)13-8-7-12(24-13)10-5-3-4-6-11(10)18/h3-8,15H,1-2H3,(H2,19,20,22)
- InChIKey
- NGEOKBHZODIPTD-UHFFFAOYSA-N
- Compound name
- methyl 4-[5-(2-bromophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.02878 | 182.7 |
[M+Na]+ | 413.01072 | 193.1 |
[M-H]- | 389.01422 | 190.9 |
[M+NH4]+ | 408.05532 | 194.6 |
[M+K]+ | 428.98466 | 181.5 |
[M+H-H2O]+ | 373.01876 | 180.7 |
[M+HCOO]- | 435.01970 | 196.7 |
[M+CH3COO]- | 449.03535 | 209.8 |
[M+Na-2H]- | 410.99617 | 182.9 |
[M]+ | 390.02095 | 200.4 |
[M]- | 390.02205 | 200.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.