CID 6242642

617697-98-0

Structural Information

Molecular Formula
C24H18ClFN2O5S
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=C(C=C4)Cl)/O)F
InChI
InChI=1S/C24H18ClFN2O5S/c1-11-4-5-14(10-16(11)26)19(29)17-18(13-6-8-15(25)9-7-13)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
DRYRDYAZJQMHEN-HTXNQAPBSA-N
Compound name
methyl 2-[(3E)-2-(4-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-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

500.0609 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.06818 218.8
[M+Na]+ 523.05012 230.8
[M+NH4]+ 518.09472 222.8
[M+K]+ 539.02406 226.7
[M-H]- 499.05362 221.3
[M+Na-2H]- 521.03557 222.4
[M]+ 500.06035 221.6
[M]- 500.06145 221.6
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.