CID 6459022
Chembl1450796
Structural Information
- Molecular Formula
- C14H13N5O2
- SMILES
- CC1=CC=C(C=C1)C2=NN(C3=NC(=O)N(C(=O)C3=N2)C)C
- InChI
- InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
- InChIKey
- ADLBKNFHIOUYGV-UHFFFAOYSA-N
- Compound name
- 1,6-dimethyl-3-(4-methylphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.11421 | 169.2 |
[M+Na]+ | 306.09615 | 183.1 |
[M-H]- | 282.09965 | 171.6 |
[M+NH4]+ | 301.14075 | 179.8 |
[M+K]+ | 322.07009 | 176.6 |
[M+H-H2O]+ | 266.10419 | 158.3 |
[M+HCOO]- | 328.10513 | 186.7 |
[M+CH3COO]- | 342.12078 | 180.6 |
[M+Na-2H]- | 304.08160 | 175.4 |
[M]+ | 283.10638 | 173.0 |
[M]- | 283.10748 | 173.0 |