CID 3065294

Imidazo(2,1-b)quinazolin-5(1h)-one, 3-(4-bromophenyl)-1-(chlorophenyl)-

Structural Information

Molecular Formula
C22H13BrClN3O
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC=CC=C4Cl)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H13BrClN3O/c23-15-11-9-14(10-12-15)20-13-26(19-8-4-2-6-17(19)24)22-25-18-7-3-1-5-16(18)21(28)27(20)22/h1-13H
InChIKey
VTUKSOBBTNXASG-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(2-chlorophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.99304 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.00032 198.5
[M+Na]+ 471.98226 214.4
[M-H]- 447.98576 209.4
[M+NH4]+ 467.02686 212.2
[M+K]+ 487.95620 199.2
[M+H-H2O]+ 431.99030 195.0
[M+HCOO]- 493.99124 212.1
[M+CH3COO]- 508.00689 210.8
[M+Na-2H]- 469.96771 203.5
[M]+ 448.99249 221.7
[M]- 448.99359 221.7
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.