CID 16429439

Methyl 4-[3-(3-fluoro-4-methoxybenzoyl)-4-hydroxy-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1h-pyrrol-2-yl]benzoate

Structural Information

Molecular Formula
C26H21FN2O6
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)/O)F
InChI
InChI=1S/C26H21FN2O6/c1-34-20-10-9-18(12-19(20)27)23(30)21-22(16-5-7-17(8-6-16)26(33)35-2)29(25(32)24(21)31)14-15-4-3-11-28-13-15/h3-13,22,30H,14H2,1-2H3/b23-21-
InChIKey
CFQQZBBOFDXPTF-LNVKXUELSA-N
Compound name
methyl 4-[(3Z)-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.13837 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.14565 211.5
[M+Na]+ 499.12759 218.2
[M-H]- 475.13109 219.8
[M+NH4]+ 494.17219 216.8
[M+K]+ 515.10153 212.9
[M+H-H2O]+ 459.13563 199.5
[M+HCOO]- 521.13657 226.5
[M+CH3COO]- 535.15222 234.8
[M+Na-2H]- 497.11304 205.6
[M]+ 476.13782 212.5
[M]- 476.13892 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.