CID 3065283

Imidazo(2,1-b)quinazolin-5(1h)-one, 3-(p-bromophenyl)-1-(m-nitrophenyl)-

Structural Information

Molecular Formula
C22H13BrN4O3
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H13BrN4O3/c23-15-10-8-14(9-11-15)20-13-25(16-4-3-5-17(12-16)27(29)30)22-24-19-7-2-1-6-18(19)21(28)26(20)22/h1-13H
InChIKey
IJLRBHLIPYZNQE-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.0171 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.02438 201.6
[M+Na]+ 483.00632 210.6
[M+NH4]+ 478.05092 205.6
[M+K]+ 498.98026 211.1
[M-H]- 459.00982 206.9
[M+Na-2H]- 480.99177 207.2
[M]+ 460.01655 203.5
[M]- 460.01765 203.5
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.