CID 453337
133627-23-3
Structural Information
- Molecular Formula
- C13H12N4O2
- SMILES
- CCN1C2=C(C(=O)C=CN2)NC(=O)C3=C1N=CC=C3
- InChI
- InChI=1S/C13H12N4O2/c1-2-17-11-8(4-3-6-14-11)13(19)16-10-9(18)5-7-15-12(10)17/h3-7H,2H2,1H3,(H,15,18)(H,16,19)
- InChIKey
- RXVDMYVTIXBBQR-UHFFFAOYSA-N
- Compound name
- 2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),5,12,14-pentaene-7,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.10332 | 158.5 |
[M+Na]+ | 279.08526 | 168.7 |
[M-H]- | 255.08876 | 158.3 |
[M+NH4]+ | 274.12986 | 170.6 |
[M+K]+ | 295.05920 | 166.4 |
[M+H-H2O]+ | 239.09330 | 149.4 |
[M+HCOO]- | 301.09424 | 172.2 |
[M+CH3COO]- | 315.10989 | 168.5 |
[M+Na-2H]- | 277.07071 | 165.5 |
[M]+ | 256.09549 | 154.7 |
[M]- | 256.09659 | 154.7 |
Literature stripe
Patent stripe
No patent data available for this compound.