CID 3065282

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

Structural Information

Molecular Formula
C23H16BrN3O
SMILES
CC1=CC=C(C=C1)N2C=C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C23H16BrN3O/c1-15-6-12-18(13-7-15)26-14-21(16-8-10-17(24)11-9-16)27-22(28)19-4-2-3-5-20(19)25-23(26)27/h2-14H,1H3
InChIKey
ZKJQCAGIQCGABK-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(4-methylphenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.04767 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.05495 198.2
[M+Na]+ 452.03689 212.7
[M-H]- 428.04039 209.3
[M+NH4]+ 447.08149 211.7
[M+K]+ 468.01083 198.6
[M+H-H2O]+ 412.04493 194.5
[M+HCOO]- 474.04587 215.9
[M+CH3COO]- 488.06152 210.4
[M+Na-2H]- 450.02234 203.0
[M]+ 429.04712 219.5
[M]- 429.04822 219.5
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.