CID 2186581

(5e)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C21H14BrN3O3S
SMILES
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)/C(=C\C5=C(C=CC(=C5)Br)OC)/SC4=N3
InChI
InChI=1S/C21H14BrN3O3S/c1-11-14-5-3-4-6-16(14)28-18(11)19-23-21-25(24-19)20(26)17(29-21)10-12-9-13(22)7-8-15(12)27-2/h3-10H,1-2H3/b17-10+
InChIKey
WWGUVUUZVJVYQC-LICLKQGHSA-N
Compound name
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.99393 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.00121 199.5
[M+Na]+ 489.98315 206.8
[M+NH4]+ 485.02775 203.6
[M+K]+ 505.95709 207.8
[M-H]- 465.98665 203.7
[M+Na-2H]- 487.96860 202.4
[M]+ 466.99338 201.2
[M]- 466.99448 201.2
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.