CID 3070991
Brn 4592754
Structural Information
- Molecular Formula
- C20H16Cl2N4O2
- SMILES
- CNC(=O)C1=C2CN=C(C3=C(N2CC(=O)N1)C=CC(=C3)Cl)C4=CC=CC=C4Cl
- InChI
- InChI=1S/C20H16Cl2N4O2/c1-23-20(28)19-16-9-24-18(12-4-2-3-5-14(12)22)13-8-11(21)6-7-15(13)26(16)10-17(27)25-19/h2-8H,9-10H2,1H3,(H,23,28)(H,25,27)
- InChIKey
- WLGRESUNHRJDDE-UHFFFAOYSA-N
- Compound name
- 9-chloro-7-(2-chlorophenyl)-N-methyl-2-oxo-3,5-dihydro-1H-pyrazino[1,2-a][1,4]benzodiazepine-4-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 415.07231 | 193.9 |
[M+Na]+ | 437.05425 | 204.7 |
[M-H]- | 413.05775 | 197.6 |
[M+NH4]+ | 432.09885 | 203.0 |
[M+K]+ | 453.02819 | 201.4 |
[M+H-H2O]+ | 397.06229 | 183.6 |
[M+HCOO]- | 459.06323 | 199.2 |
[M+CH3COO]- | 473.07888 | 201.9 |
[M+Na-2H]- | 435.03970 | 196.6 |
[M]+ | 414.06448 | 192.7 |
[M]- | 414.06558 | 192.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.