CID 6077220

612077-15-3

Structural Information

Molecular Formula
C24H19FN2O5S
SMILES
CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C24H19FN2O5S/c1-13-19(23(30)32-3)20(15-6-8-16(9-7-15)22(29)31-2)27-21(28)18(33-24(27)26-13)12-14-4-10-17(25)11-5-14/h4-12,20H,1-3H3/b18-12-
InChIKey
RKANNLXDXRUURI-PDGQHHTCSA-N
Compound name
methyl (2Z)-2-[(4-fluorophenyl)methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.09988 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10716 211.0
[M+Na]+ 489.08910 225.0
[M+NH4]+ 484.13370 215.6
[M+K]+ 505.06304 218.1
[M-H]- 465.09260 213.4
[M+Na-2H]- 487.07455 216.4
[M]+ 466.09933 214.0
[M]- 466.10043 214.0
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.