CID 6448862
(e)-1,3-diethyl-8-(2,4-dimethoxy-3-methylstyryl)-7-methylxanthine
Structural Information
- Molecular Formula
- C21H26N4O4
- SMILES
- CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C(=C(C=C3)OC)C)OC)C
- InChI
- InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+
- InChIKey
- JZBGORFEKBLOPF-ZRDIBKRKSA-N
- Compound name
- 8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.20268 | 198.3 |
[M+Na]+ | 421.18462 | 212.2 |
[M-H]- | 397.18812 | 202.9 |
[M+NH4]+ | 416.22922 | 208.4 |
[M+K]+ | 437.15856 | 205.9 |
[M+H-H2O]+ | 381.19266 | 188.4 |
[M+HCOO]- | 443.19360 | 217.6 |
[M+CH3COO]- | 457.20925 | 227.5 |
[M+Na-2H]- | 419.17007 | 197.1 |
[M]+ | 398.19485 | 209.5 |
[M]- | 398.19595 | 209.5 |
Literature stripe
No literature data available for this compound.