CID 6448795
(e)-8-(4-ethoxystyryl)-1,3-dipropylxanthine
Structural Information
- Molecular Formula
- C21H26N4O3
- SMILES
- CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC=C(C=C3)OCC
- InChI
- InChI=1S/C21H26N4O3/c1-4-13-24-19-18(20(26)25(14-5-2)21(24)27)22-17(23-19)12-9-15-7-10-16(11-8-15)28-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,22,23)/b12-9+
- InChIKey
- GPWZJPXOLYCQRF-FMIVXFBMSA-N
- Compound name
- 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 383.20778 | 195.4 |
[M+Na]+ | 405.18972 | 206.5 |
[M-H]- | 381.19322 | 197.4 |
[M+NH4]+ | 400.23432 | 204.7 |
[M+K]+ | 421.16366 | 198.6 |
[M+H-H2O]+ | 365.19776 | 184.9 |
[M+HCOO]- | 427.19870 | 213.2 |
[M+CH3COO]- | 441.21435 | 219.1 |
[M+Na-2H]- | 403.17517 | 195.8 |
[M]+ | 382.19995 | 202.2 |
[M]- | 382.20105 | 202.2 |
Literature stripe
No literature data available for this compound.