CID 1081560
476482-53-8
Structural Information
- Molecular Formula
- C20H23N7O2S
- SMILES
- CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5N4
- InChI
- InChI=1S/C20H23N7O2S/c1-25-16-15(17(28)24-20(25)29)27(19(23-16)26-9-5-2-6-10-26)11-12-30-18-21-13-7-3-4-8-14(13)22-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,22)(H,24,28,29)
- InChIKey
- PXVHOYWIFUXTHQ-UHFFFAOYSA-N
- Compound name
- 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.17068 | 200.7 |
[M+Na]+ | 448.15262 | 213.0 |
[M-H]- | 424.15612 | 203.0 |
[M+NH4]+ | 443.19722 | 206.8 |
[M+K]+ | 464.12656 | 203.3 |
[M+H-H2O]+ | 408.16066 | 191.5 |
[M+HCOO]- | 470.16160 | 208.1 |
[M+CH3COO]- | 484.17725 | 208.1 |
[M+Na-2H]- | 446.13807 | 198.4 |
[M]+ | 425.16285 | 203.6 |
[M]- | 425.16395 | 203.6 |
Literature stripe
Patent stripe
No patent data available for this compound.