CID 720825
53316-56-6
Structural Information
- Molecular Formula
- C18H16N2O
- SMILES
- CC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C
- InChI
- InChI=1S/C18H16N2O/c1-13-8-10-15(11-9-13)12-17-14(2)19-20(18(17)21)16-6-4-3-5-7-16/h3-12H,1-2H3/b17-12+
- InChIKey
- XBBJQEYIOGWMNL-SFQUDFHCSA-N
- Compound name
- (4E)-5-methyl-4-[(4-methylphenyl)methylidene]-2-phenylpyrazol-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.13353 | 166.4 |
[M+Na]+ | 299.11547 | 182.2 |
[M+NH4]+ | 294.16007 | 174.5 |
[M+K]+ | 315.08941 | 175.2 |
[M-H]- | 275.11897 | 171.7 |
[M+Na-2H]- | 297.10092 | 175.9 |
[M]+ | 276.12570 | 170.2 |
[M]- | 276.12680 | 170.2 |