CID 1084966
105522-58-5
Structural Information
- Molecular Formula
- C18H23N5O3
- SMILES
- CCN(CC)C1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C
- InChI
- InChI=1S/C18H23N5O3/c1-4-22(5-2)17-19-15-14(16(24)20-18(25)21(15)3)23(17)11-12-26-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,20,24,25)
- InChIKey
- SIYFFUFRWMYNJE-UHFFFAOYSA-N
- Compound name
- 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.18736 | 185.2 |
[M+Na]+ | 380.16930 | 195.6 |
[M-H]- | 356.17280 | 188.9 |
[M+NH4]+ | 375.21390 | 195.5 |
[M+K]+ | 396.14324 | 190.3 |
[M+H-H2O]+ | 340.17734 | 174.6 |
[M+HCOO]- | 402.17828 | 205.5 |
[M+CH3COO]- | 416.19393 | 218.7 |
[M+Na-2H]- | 378.15475 | 188.2 |
[M]+ | 357.17953 | 192.0 |
[M]- | 357.18063 | 192.0 |
Literature stripe
Patent stripe
No patent data available for this compound.