CID 3041244
53727-37-0
Structural Information
- Molecular Formula
- C13H14BrN3O2
- SMILES
- CN1C(=O)C(=CN(C1=O)C2=CC=C(C=C2)Br)N(C)C
- InChI
- InChI=1S/C13H14BrN3O2/c1-15(2)11-8-17(13(19)16(3)12(11)18)10-6-4-9(14)5-7-10/h4-8H,1-3H3
- InChIKey
- ZHYCVFLAKNLPAT-UHFFFAOYSA-N
- Compound name
- 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.03423 | 158.7 |
[M+Na]+ | 346.01617 | 172.4 |
[M-H]- | 322.01967 | 167.8 |
[M+NH4]+ | 341.06077 | 175.2 |
[M+K]+ | 361.99011 | 161.1 |
[M+H-H2O]+ | 306.02421 | 156.1 |
[M+HCOO]- | 368.02515 | 180.4 |
[M+CH3COO]- | 382.04080 | 209.8 |
[M+Na-2H]- | 344.00162 | 164.7 |
[M]+ | 323.02640 | 180.8 |
[M]- | 323.02750 | 180.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.