CID 5776109

617697-96-8

Structural Information

Molecular Formula
C24H17Cl2FN2O5S
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)Cl)/O)F
InChI
InChI=1S/C24H17Cl2FN2O5S/c1-10-4-5-13(9-16(10)27)19(30)17-18(12-6-7-14(25)15(26)8-12)29(22(32)20(17)31)24-28-11(2)21(35-24)23(33)34-3/h4-9,18,30H,1-3H3/b19-17+
InChIKey
DAOROIGXMYOYGC-HTXNQAPBSA-N
Compound name
methyl 2-[(3E)-2-(3,4-dichlorophenyl)-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

534.0219 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.02918 223.3
[M+Na]+ 557.01112 236.0
[M+NH4]+ 552.05572 227.4
[M+K]+ 572.98506 231.3
[M-H]- 533.01462 225.7
[M+Na-2H]- 554.99657 226.6
[M]+ 534.02135 226.5
[M]- 534.02245 226.5
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.