CID 6247067

617697-95-7

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=C(C=C4)F)/O)F
InChI
InChI=1S/C24H18F2N2O5S/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
DMSTVQOLRCYACQ-HTXNQAPBSA-N
Compound name
methyl 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

484.09045 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.09773 211.6
[M+Na]+ 507.07967 221.3
[M-H]- 483.08317 220.3
[M+NH4]+ 502.12427 220.3
[M+K]+ 523.05361 215.0
[M+H-H2O]+ 467.08771 202.6
[M+HCOO]- 529.08865 222.6
[M+CH3COO]- 543.10430 235.0
[M+Na-2H]- 505.06512 200.7
[M]+ 484.08990 214.5
[M]- 484.09100 214.5
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.