CID 16429430
4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one
Structural Information
- Molecular Formula
- C27H25FN2O5
- SMILES
- CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
- InChI
- InChI=1S/C27H25FN2O5/c1-3-13-35-20-9-6-18(7-10-20)24-23(25(31)19-8-11-22(34-2)21(28)14-19)26(32)27(33)30(24)16-17-5-4-12-29-15-17/h4-12,14-15,24,31H,3,13,16H2,1-2H3/b25-23-
- InChIKey
- LFQRACKNVFTHRU-BZZOAKBMSA-N
- Compound name
- (4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 477.18202 | 215.2 |
[M+Na]+ | 499.16396 | 221.7 |
[M-H]- | 475.16746 | 223.0 |
[M+NH4]+ | 494.20856 | 220.7 |
[M+K]+ | 515.13790 | 215.2 |
[M+H-H2O]+ | 459.17200 | 202.7 |
[M+HCOO]- | 521.17294 | 230.4 |
[M+CH3COO]- | 535.18859 | 235.7 |
[M+Na-2H]- | 497.14941 | 209.4 |
[M]+ | 476.17419 | 216.3 |
[M]- | 476.17529 | 216.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.