CID 6245961

609795-41-7

Structural Information

Molecular Formula
C25H20F2N2O5S
SMILES
CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)F)C
InChI
InChI=1S/C25H20F2N2O5S/c1-4-34-24(33)22-13(3)28-25(35-22)29-19(14-7-9-16(26)10-8-14)18(21(31)23(29)32)20(30)15-6-5-12(2)17(27)11-15/h5-11,19,30H,4H2,1-3H3/b20-18+
InChIKey
HCZPEUYRLRJKAX-CZIZESTLSA-N
Compound name
ethyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1061 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.11338 215.8
[M+Na]+ 521.09532 225.1
[M-H]- 497.09882 224.3
[M+NH4]+ 516.13992 223.9
[M+K]+ 537.06926 218.6
[M+H-H2O]+ 481.10336 206.6
[M+HCOO]- 543.10430 226.4
[M+CH3COO]- 557.11995 237.8
[M+Na-2H]- 519.08077 204.4
[M]+ 498.10555 219.0
[M]- 498.10665 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.