CID 706445
500147-68-2
Structural Information
- Molecular Formula
- C18H20N4O3
- SMILES
- CCCN1C2=C(C=C(C1=N)C(=O)OCC)C(=O)N3C=CC=C(C3=N2)C
- InChI
- InChI=1S/C18H20N4O3/c1-4-8-21-14(19)12(18(24)25-5-2)10-13-16(21)20-15-11(3)7-6-9-22(15)17(13)23/h6-7,9-10,19H,4-5,8H2,1-3H3
- InChIKey
- UCGIHIJBLPQGTO-UHFFFAOYSA-N
- Compound name
- ethyl 6-imino-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.16081 | 180.4 |
[M+Na]+ | 363.14275 | 195.9 |
[M+NH4]+ | 358.18735 | 186.0 |
[M+K]+ | 379.11669 | 188.8 |
[M-H]- | 339.14625 | 181.8 |
[M+Na-2H]- | 361.12820 | 185.3 |
[M]+ | 340.15298 | 182.9 |
[M]- | 340.15408 | 182.9 |
Literature stripe
Patent stripe
No patent data available for this compound.