CID 137321932
2-amino-5-(2-(4-methoxyphenyl)-2-oxoethylidene)-4(5h)-oxazolone
Structural Information
- Molecular Formula
- C12H10N2O4
- SMILES
- COC1=CC=C(C=C1)C(=O)/C=C/2\C(=O)NC(=N)O2
- InChI
- InChI=1S/C12H10N2O4/c1-17-8-4-2-7(3-5-8)9(15)6-10-11(16)14-12(13)18-10/h2-6H,1H3,(H2,13,14,16)/b10-6+
- InChIKey
- BHTGQBOJPIHIPJ-UXBLZVDNSA-N
- Compound name
- (5E)-2-imino-5-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-oxazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 247.07134 | 152.5 |
[M+Na]+ | 269.05328 | 160.0 |
[M-H]- | 245.05678 | 157.6 |
[M+NH4]+ | 264.09788 | 167.8 |
[M+K]+ | 285.02722 | 157.3 |
[M+H-H2O]+ | 229.06132 | 145.5 |
[M+HCOO]- | 291.06226 | 173.4 |
[M+CH3COO]- | 305.07791 | 190.8 |
[M+Na-2H]- | 267.03873 | 154.8 |
[M]+ | 246.06351 | 150.8 |
[M]- | 246.06461 | 150.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.