CID 16205697
Brn 4512996
Structural Information
- Molecular Formula
- C15H18N2O3
- SMILES
- CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC=C)/C
- InChI
- InChI=1S/C15H18N2O3/c1-4-8-20-16-11(3)12-6-7-14-13(9-12)17(5-2)15(18)10-19-14/h4,6-7,9H,1,5,8,10H2,2-3H3/b16-11+
- InChIKey
- QODQXHVWCBJOMJ-LFIBNONCSA-N
- Compound name
- 4-ethyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzoxazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.13902 | 163.2 |
[M+Na]+ | 297.12096 | 170.3 |
[M-H]- | 273.12446 | 167.8 |
[M+NH4]+ | 292.16556 | 178.3 |
[M+K]+ | 313.09490 | 168.5 |
[M+H-H2O]+ | 257.12900 | 155.1 |
[M+HCOO]- | 319.12994 | 183.2 |
[M+CH3COO]- | 333.14559 | 205.2 |
[M+Na-2H]- | 295.10641 | 167.8 |
[M]+ | 274.13119 | 166.0 |
[M]- | 274.13229 | 166.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.