CID 6474971

3-[(4e)-4-[(3,5-dibromo-2-hydroxy-phenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one

Structural Information

Molecular Formula
C25H16Br2N4O3
SMILES
CC1=N/C(=C/C2=C(C(=CC(=C2)Br)Br)O)/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H16Br2N4O3/c1-14-28-21(12-16-11-17(26)13-19(27)22(16)32)25(34)30(14)31-23(15-7-3-2-4-8-15)29-20-10-6-5-9-18(20)24(31)33/h2-13,32H,1H3/b21-12+
InChIKey
ATABGOUCXZVXMH-CIAFOILYSA-N
Compound name
3-[(4E)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

577.9589 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.96618 202.2
[M+Na]+ 600.94812 212.7
[M-H]- 576.95162 212.4
[M+NH4]+ 595.99272 209.5
[M+K]+ 616.92206 197.3
[M+H-H2O]+ 560.95616 207.7
[M+HCOO]- 622.95710 212.1
[M+CH3COO]- 636.97275 211.6
[M+Na-2H]- 598.93357 202.7
[M]+ 577.95835 236.4
[M]- 577.95945 236.4
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.