CID 46911402
Chembl2035462
Structural Information
- Molecular Formula
- C18H16N2O2Se2
- SMILES
- C1=CC=C2C(=C1)C(=O)N([Se]2)CCCCN3C(=O)C4=CC=CC=C4[Se]3
- InChI
- InChI=1S/C18H16N2O2Se2/c21-17-13-7-1-3-9-15(13)23-19(17)11-5-6-12-20-18(22)14-8-2-4-10-16(14)24-20/h1-4,7-10H,5-6,11-12H2
- InChIKey
- CVIORDGEMWGHPD-UHFFFAOYSA-N
- Compound name
- 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)butyl]-1,2-benzoselenazol-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.96150 | 198.5 |
[M+Na]+ | 474.94344 | 209.7 |
[M-H]- | 450.94694 | 205.0 |
[M+NH4]+ | 469.98804 | 214.8 |
[M+K]+ | 490.91738 | 202.3 |
[M+H-H2O]+ | 434.95148 | 188.6 |
[M+HCOO]- | 496.95242 | 221.2 |
[M+CH3COO]- | 510.96807 | 209.4 |
[M+Na-2H]- | 472.92889 | 199.5 |
[M]+ | 451.95367 | 205.3 |
[M]- | 451.95477 | 205.3 |