CID 4048502
4-(4-methylphenyl)-1-(2-(3-nitrophenyl)-2-oxoethyl)pyrimidin-1-ium bromide
Structural Information
- Molecular Formula
- C19H16N3O3
- SMILES
- CC1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C19H16N3O3/c1-14-5-7-15(8-6-14)18-9-10-21(13-20-18)12-19(23)16-3-2-4-17(11-16)22(24)25/h2-11,13H,12H2,1H3/q+1
- InChIKey
- YQBZOJXOVSHZDF-UHFFFAOYSA-N
- Compound name
- 2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.12645 | 182.2 |
[M+Na]+ | 357.10839 | 187.7 |
[M-H]- | 333.11189 | 189.5 |
[M+NH4]+ | 352.15299 | 190.9 |
[M+K]+ | 373.08233 | 173.1 |
[M+H-H2O]+ | 317.11643 | 178.0 |
[M+HCOO]- | 379.11737 | 202.7 |
[M+CH3COO]- | 393.13302 | 198.9 |
[M+Na-2H]- | 355.09384 | 190.2 |
[M]+ | 334.11862 | 179.5 |
[M]- | 334.11972 | 179.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.