CID 2220392
Chembl367524
Structural Information
- Molecular Formula
- C18H16N2O3
- SMILES
- CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)
- InChIKey
- XWZIZWWEAJZAMO-UHFFFAOYSA-N
- Compound name
- 5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.12338 | 173.0 |
[M+Na]+ | 331.10532 | 180.6 |
[M-H]- | 307.10882 | 177.5 |
[M+NH4]+ | 326.14992 | 185.2 |
[M+K]+ | 347.07926 | 174.0 |
[M+H-H2O]+ | 291.11336 | 163.5 |
[M+HCOO]- | 353.11430 | 188.5 |
[M+CH3COO]- | 367.12995 | 199.8 |
[M+Na-2H]- | 329.09077 | 175.8 |
[M]+ | 308.11555 | 168.0 |
[M]- | 308.11665 | 168.0 |
Literature stripe
Patent stripe
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