CID 3060798
H 814 [german]
Structural Information
- Molecular Formula
- C18H23N5O2
- SMILES
- CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3
- InChI
- InChI=1S/C18H23N5O2/c1-13(2)23(14-8-6-5-7-9-14)11-10-22-12-19-16-15(22)17(24)21(4)18(25)20(16)3/h5-9,12-13H,10-11H2,1-4H3
- InChIKey
- WCXMJPGVQDMJJC-UHFFFAOYSA-N
- Compound name
- 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.19246 | 182.1 |
[M+Na]+ | 364.17440 | 193.0 |
[M-H]- | 340.17790 | 187.3 |
[M+NH4]+ | 359.21900 | 193.9 |
[M+K]+ | 380.14834 | 188.3 |
[M+H-H2O]+ | 324.18244 | 171.6 |
[M+HCOO]- | 386.18338 | 202.8 |
[M+CH3COO]- | 400.19903 | 219.8 |
[M+Na-2H]- | 362.15985 | 184.3 |
[M]+ | 341.18463 | 188.8 |
[M]- | 341.18573 | 188.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.