CID 3041627
Ml 1033
Structural Information
- Molecular Formula
- C17H17FN4O5
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)COC3=CC=C(C=C3)F
- InChI
- InChI=1S/C17H17FN4O5/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)7-8-26-13(23)9-27-12-5-3-11(18)4-6-12/h3-6,10H,7-9H2,1-2H3
- InChIKey
- QDKQDHTVYWEOGM-UHFFFAOYSA-N
- Compound name
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-fluorophenoxy)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 377.12558 | 184.2 |
[M+Na]+ | 399.10752 | 196.7 |
[M-H]- | 375.11102 | 187.1 |
[M+NH4]+ | 394.15212 | 194.0 |
[M+K]+ | 415.08146 | 192.0 |
[M+H-H2O]+ | 359.11556 | 173.2 |
[M+HCOO]- | 421.11650 | 203.2 |
[M+CH3COO]- | 435.13215 | 217.6 |
[M+Na-2H]- | 397.09297 | 185.9 |
[M]+ | 376.11775 | 192.7 |
[M]- | 376.11885 | 192.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.