CID 783993
370583-81-6
Structural Information
- Molecular Formula
- C17H21N5O2
- SMILES
- CNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
- InChI
- InChI=1S/C17H21N5O2/c1-18-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,18,19)
- InChIKey
- FLZPDVHRJDIJOZ-UHFFFAOYSA-N
- Compound name
- 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 328.17681 | 179.2 |
[M+Na]+ | 350.15875 | 191.6 |
[M-H]- | 326.16225 | 183.3 |
[M+NH4]+ | 345.20335 | 191.2 |
[M+K]+ | 366.13269 | 185.2 |
[M+H-H2O]+ | 310.16679 | 169.0 |
[M+HCOO]- | 372.16773 | 200.6 |
[M+CH3COO]- | 386.18338 | 214.0 |
[M+Na-2H]- | 348.14420 | 182.7 |
[M]+ | 327.16898 | 185.3 |
[M]- | 327.17008 | 185.3 |
Literature stripe
Patent stripe
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