CID 3078671
122113-26-2
Structural Information
- Molecular Formula
- C18H20N4O3
- SMILES
- CN1C(=O)CC2=CN=C(N=C21)N3CCC4=CC(=C(C=C4C3)OC)OC
- InChI
- InChI=1S/C18H20N4O3/c1-21-16(23)8-12-9-19-18(20-17(12)21)22-5-4-11-6-14(24-2)15(25-3)7-13(11)10-22/h6-7,9H,4-5,8,10H2,1-3H3
- InChIKey
- KMZKREATKZMRCW-UHFFFAOYSA-N
- Compound name
- 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.16081 | 182.8 |
[M+Na]+ | 363.14275 | 197.0 |
[M+NH4]+ | 358.18735 | 189.5 |
[M+K]+ | 379.11669 | 191.9 |
[M-H]- | 339.14625 | 185.0 |
[M+Na-2H]- | 361.12820 | 186.8 |
[M]+ | 340.15298 | 185.4 |
[M]- | 340.15408 | 185.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.