CID 3817731

4-(3-fluoro-4-methylbenzoyl)-1-[(furan-2-yl)methyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C22H17FN2O4
SMILES
CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CN=CC=C4)O)F
InChI
InChI=1S/C22H17FN2O4/c1-13-6-7-14(10-17(13)23)20(26)18-19(15-4-2-8-24-11-15)25(22(28)21(18)27)12-16-5-3-9-29-16/h2-11,19,26H,12H2,1H3
InChIKey
CARWNZAWWQFOAA-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11725 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12453 195.5
[M+Na]+ 415.10647 208.0
[M+NH4]+ 410.15107 200.1
[M+K]+ 431.08041 205.8
[M-H]- 391.10997 199.8
[M+Na-2H]- 413.09192 200.8
[M]+ 392.11670 198.2
[M]- 392.11780 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.