CID 16427993

351516-90-0

Structural Information

Molecular Formula
C24H21BrN2O3S2
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C\C4=CC=C(C=C4)Br)/S2)C
InChI
InChI=1S/C24H21BrN2O3S2/c1-4-30-23(29)20-14(2)26-24-27(21(20)16-7-11-18(31-3)12-8-16)22(28)19(32-24)13-15-5-9-17(25)10-6-15/h5-13,21H,4H2,1-3H3/b19-13+
InChIKey
WGFQNHARFHJRII-CPNJWEJPSA-N
Compound name
ethyl (2E)-2-[(4-bromophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-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

528.0177 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.02498 193.5
[M+Na]+ 551.00692 199.5
[M+NH4]+ 546.05152 197.3
[M+K]+ 566.98086 196.2
[M-H]- 527.01042 196.9
[M+Na-2H]- 548.99237 197.9
[M]+ 528.01715 195.2
[M]- 528.01825 195.2
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.