CID 199810
5047-75-6
Structural Information
- Molecular Formula
- C18H31N5O3
- SMILES
- CCCCN(CCCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
- InChI
- InChI=1S/C18H31N5O3/c1-5-7-9-22(10-8-6-2)11-14(24)12-23-13-19-16-15(23)17(25)21(4)18(26)20(16)3/h13-14,24H,5-12H2,1-4H3
- InChIKey
- ZDVAMNZVNAKAFM-UHFFFAOYSA-N
- Compound name
- 7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.24996 | 190.4 |
[M+Na]+ | 388.23190 | 199.4 |
[M-H]- | 364.23540 | 190.4 |
[M+NH4]+ | 383.27650 | 201.0 |
[M+K]+ | 404.20584 | 195.4 |
[M+H-H2O]+ | 348.23994 | 181.0 |
[M+HCOO]- | 410.24088 | 208.5 |
[M+CH3COO]- | 424.25653 | 223.5 |
[M+Na-2H]- | 386.21735 | 190.0 |
[M]+ | 365.24213 | 199.3 |
[M]- | 365.24323 | 199.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.