CID 16429425
4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one
Structural Information
- Molecular Formula
- C25H21FN2O5
- SMILES
- COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)OC)/O)F
- InChI
- InChI=1S/C25H21FN2O5/c1-32-18-5-3-4-16(12-18)22-21(23(29)17-6-7-20(33-2)19(26)13-17)24(30)25(31)28(22)14-15-8-10-27-11-9-15/h3-13,22,29H,14H2,1-2H3/b23-21-
- InChIKey
- VDFHTGPAKLJJLO-LNVKXUELSA-N
- Compound name
- (4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 449.15074 | 206.5 |
[M+Na]+ | 471.13268 | 214.0 |
[M-H]- | 447.13618 | 214.8 |
[M+NH4]+ | 466.17728 | 213.2 |
[M+K]+ | 487.10662 | 207.9 |
[M+H-H2O]+ | 431.14072 | 194.4 |
[M+HCOO]- | 493.14166 | 222.5 |
[M+CH3COO]- | 507.15731 | 230.0 |
[M+Na-2H]- | 469.11813 | 201.8 |
[M]+ | 448.14291 | 207.1 |
[M]- | 448.14401 | 207.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.