CID 63583

Brn 5657100

Structural Information

Molecular Formula
C27H16Br2N4O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=CC=CC(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C27H16Br2N4O/c28-18-14-20-24(21(29)15-18)32-26(16-7-2-1-3-8-16)33(27(20)34)19-10-6-9-17(13-19)25-30-22-11-4-5-12-23(22)31-25/h1-15H,(H,30,31)
InChIKey
SGMYIEDYULORQO-UHFFFAOYSA-N
Compound name
3-[3-(1H-benzimidazol-2-yl)phenyl]-6,8-dibromo-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.9691 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.97638 205.8
[M+Na]+ 592.95832 216.2
[M-H]- 568.96182 216.3
[M+NH4]+ 588.00292 213.7
[M+K]+ 608.93226 201.0
[M+H-H2O]+ 552.96636 211.4
[M+HCOO]- 614.96730 216.3
[M+CH3COO]- 628.98295 215.0
[M+Na-2H]- 590.94377 209.3
[M]+ 569.96855 239.3
[M]- 569.96965 239.3
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.