CID 117064982

624726-69-8

Structural Information

Molecular Formula
C24H21FN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C\C4=CC=C(C=C4)F)/S2)C
InChI
InChI=1S/C24H21FN2O3S/c1-4-30-23(29)20-15(3)26-24-27(21(20)17-9-5-14(2)6-10-17)22(28)19(31-24)13-16-7-11-18(25)12-8-16/h5-13,21H,4H2,1-3H3/b19-13+
InChIKey
ANWMHAXVGHCKOG-CPNJWEJPSA-N
Compound name
ethyl (2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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

436.1257 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13298 206.4
[M+Na]+ 459.11492 221.8
[M+NH4]+ 454.15952 212.6
[M+K]+ 475.08886 212.9
[M-H]- 435.11842 210.2
[M+Na-2H]- 457.10037 212.9
[M]+ 436.12515 210.2
[M]- 436.12625 210.2
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.