CID 5854151

618072-71-2

Structural Information

Molecular Formula
C24H20FN3O5S
SMILES
CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C2=O)C4=CN=CC=C4)C
InChI
InChI=1S/C24H20FN3O5S/c1-4-33-23(32)21-13(3)27-24(34-21)28-18(15-6-5-9-26-11-15)17(20(30)22(28)31)19(29)14-8-7-12(2)16(25)10-14/h5-11,18,29H,4H2,1-3H3/b19-17+
InChIKey
KECDQGHQDRKJEE-HTXNQAPBSA-N
Compound name
ethyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.11078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.11806 217.0
[M+Na]+ 504.10000 227.7
[M+NH4]+ 499.14460 219.9
[M+K]+ 520.07394 224.6
[M-H]- 480.10350 218.6
[M+Na-2H]- 502.08545 220.3
[M]+ 481.11023 219.0
[M]- 481.11133 219.0
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.