CID 6241157

618071-81-1

Structural Information

Molecular Formula
C26H20F2N2O5S
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC=CC=C4F)/O)F
InChI
InChI=1S/C26H20F2N2O5S/c1-4-11-35-25(34)23-14(3)29-26(36-23)30-20(16-7-5-6-8-17(16)27)19(22(32)24(30)33)21(31)15-10-9-13(2)18(28)12-15/h4-10,12,20,31H,1,11H2,2-3H3/b21-19+
InChIKey
RBLNPVYSCNRWAY-XUTLUUPISA-N
Compound name
prop-2-enyl 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

510.1061 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.11338 226.8
[M+Na]+ 533.09532 236.2
[M+NH4]+ 528.13992 228.9
[M+K]+ 549.06926 232.4
[M-H]- 509.09882 227.1
[M+Na-2H]- 531.08077 228.5
[M]+ 510.10555 228.1
[M]- 510.10665 228.1
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.