CID 5905214

618072-60-9

Structural Information

Molecular Formula
C24H18F2N2O5S
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=CC=C4F)/O)F
InChI
InChI=1S/C24H18F2N2O5S/c1-11-8-9-13(10-16(11)26)19(29)17-18(14-6-4-5-7-15(14)25)28(22(31)20(17)30)24-27-12(2)21(34-24)23(32)33-3/h4-10,18,29H,1-3H3/b19-17+
InChIKey
NPBWDUDCXNDGQW-HTXNQAPBSA-N
Compound name
methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(2-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

484.09045 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.09773 219.2
[M+Na]+ 507.07967 228.9
[M+NH4]+ 502.12427 221.9
[M+K]+ 523.05361 225.7
[M-H]- 483.08317 219.8
[M+Na-2H]- 505.06512 221.4
[M]+ 484.08990 220.7
[M]- 484.09100 220.7
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.