CID 135665343
(e)-1,3-diethyl-8-(4-hydroxystyryl)-7-methylxanthine
Structural Information
- Molecular Formula
- C18H20N4O3
- SMILES
- CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=C(C=C3)O)C
- InChI
- InChI=1S/C18H20N4O3/c1-4-21-16-15(17(24)22(5-2)18(21)25)20(3)14(19-16)11-8-12-6-9-13(23)10-7-12/h6-11,23H,4-5H2,1-3H3/b11-8+
- InChIKey
- KHQLNJCUEMABBR-DHZHZOJOSA-N
- Compound name
- 1,3-diethyl-8-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.16081 | 182.7 |
[M+Na]+ | 363.14275 | 198.4 |
[M+NH4]+ | 358.18735 | 187.4 |
[M+K]+ | 379.11669 | 193.3 |
[M-H]- | 339.14625 | 183.5 |
[M+Na-2H]- | 361.12820 | 187.6 |
[M]+ | 340.15298 | 185.1 |
[M]- | 340.15408 | 185.1 |
Literature stripe
No literature data available for this compound.