CID 3781214
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1h-pyrrol-2-one
Structural Information
- Molecular Formula
- C26H32N2O5
- SMILES
- CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)O)C
- InChI
- InChI=1S/C26H32N2O5/c1-5-6-15-33-21-12-9-19(16-17(21)2)24(30)22-23(18-7-10-20(29)11-8-18)28(14-13-27(3)4)26(32)25(22)31/h7-12,16,23,29-30H,5-6,13-15H2,1-4H3
- InChIKey
- OBMZGXRCIQAZBE-UHFFFAOYSA-N
- Compound name
- 4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 453.23838 | 211.1 |
[M+Na]+ | 475.22032 | 215.8 |
[M-H]- | 451.22382 | 218.2 |
[M+NH4]+ | 470.26492 | 219.4 |
[M+K]+ | 491.19426 | 211.3 |
[M+H-H2O]+ | 435.22836 | 201.7 |
[M+HCOO]- | 497.22930 | 228.1 |
[M+CH3COO]- | 511.24495 | 237.6 |
[M+Na-2H]- | 473.20577 | 204.2 |
[M]+ | 452.23055 | 214.1 |
[M]- | 452.23165 | 214.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.