CID 63582

Brn 5652729

Structural Information

Molecular Formula
C27H17BrN4O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C27H17BrN4O/c28-19-12-15-22-21(16-19)27(33)32(26(31-22)18-6-2-1-3-7-18)20-13-10-17(11-14-20)25-29-23-8-4-5-9-24(23)30-25/h1-16H,(H,29,30)
InChIKey
XDMRABJHKBVQAW-UHFFFAOYSA-N
Compound name
3-[4-(1H-benzimidazol-2-yl)phenyl]-6-bromo-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.05856 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06584 214.2
[M+Na]+ 515.04778 226.9
[M-H]- 491.05128 225.2
[M+NH4]+ 510.09238 222.4
[M+K]+ 531.02172 211.5
[M+H-H2O]+ 475.05582 209.1
[M+HCOO]- 537.05676 228.6
[M+CH3COO]- 551.07241 223.8
[M+Na-2H]- 513.03323 218.5
[M]+ 492.05801 232.4
[M]- 492.05911 232.4
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.