CID 16428000

609795-47-3

Structural Information

Molecular Formula
C24H18ClFN2O5S
SMILES
CC1=C(C(N2C(=O)/C(=C\C3=C(C=CC=C3Cl)F)/SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C24H18ClFN2O5S/c1-12-19(23(31)33-3)20(13-7-9-14(10-8-13)22(30)32-2)28-21(29)18(34-24(28)27-12)11-15-16(25)5-4-6-17(15)26/h4-11,20H,1-3H3/b18-11+
InChIKey
FZZSREYQDOPWJP-WOJGMQOQSA-N
Compound name
methyl (2E)-2-[(2-chloro-6-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

500.0609 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.06818 216.5
[M+Na]+ 523.05012 231.6
[M+NH4]+ 518.09472 221.4
[M+K]+ 539.02406 224.0
[M-H]- 499.05362 219.1
[M+Na-2H]- 521.03557 221.7
[M]+ 500.06035 220.1
[M]- 500.06145 220.1
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.