CID 4402230
355826-90-3
Structural Information
- Molecular Formula
- C27H23NO4
- SMILES
- CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC)C
- InChI
- InChI=1S/C27H23NO4/c1-17-8-9-20(14-18(17)2)25-15-23(22-6-4-5-7-24(22)28-25)27(30)32-16-26(29)19-10-12-21(31-3)13-11-19/h4-15H,16H2,1-3H3
- InChIKey
- OKUBLVFIJHXSGC-UHFFFAOYSA-N
- Compound name
- [2-(4-methoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.17000 | 205.4 |
[M+Na]+ | 448.15194 | 212.4 |
[M-H]- | 424.15544 | 214.5 |
[M+NH4]+ | 443.19654 | 214.1 |
[M+K]+ | 464.12588 | 207.2 |
[M+H-H2O]+ | 408.15998 | 193.5 |
[M+HCOO]- | 470.16092 | 223.5 |
[M+CH3COO]- | 484.17657 | 230.7 |
[M+Na-2H]- | 446.13739 | 206.0 |
[M]+ | 425.16217 | 209.7 |
[M]- | 425.16327 | 209.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.