CID 6286565

618071-78-6

Structural Information

Molecular Formula
C25H20FN3O5S
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=CN=CC=C4)/O)F
InChI
InChI=1S/C25H20FN3O5S/c1-4-10-34-24(33)22-14(3)28-25(35-22)29-19(16-6-5-9-27-12-16)18(21(31)23(29)32)20(30)15-8-7-13(2)17(26)11-15/h4-9,11-12,19,30H,1,10H2,2-3H3/b20-18+
InChIKey
ARPYCGVMDUIHJQ-CZIZESTLSA-N
Compound name
prop-2-enyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.11078 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.11806 220.5
[M+Na]+ 516.10000 231.0
[M+NH4]+ 511.14460 223.0
[M+K]+ 532.07394 227.7
[M-H]- 492.10350 221.9
[M+Na-2H]- 514.08545 223.5
[M]+ 493.11023 222.3
[M]- 493.11133 222.3
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.