CID 3065285

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

Structural Information

Molecular Formula
C23H16BrN3O2
SMILES
COC1=CC=C(C=C1)N2C=C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C23H16BrN3O2/c1-29-18-12-10-17(11-13-18)26-14-21(15-6-8-16(24)9-7-15)27-22(28)19-4-2-3-5-20(19)25-23(26)27/h2-14H,1H3
InChIKey
HUTLGENRQOZEJX-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(4-methoxyphenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.0426 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.04988 200.6
[M+Na]+ 468.03182 214.7
[M-H]- 444.03532 211.7
[M+NH4]+ 463.07642 213.4
[M+K]+ 484.00576 201.4
[M+H-H2O]+ 428.03986 196.7
[M+HCOO]- 490.04080 218.4
[M+CH3COO]- 504.05645 212.6
[M+Na-2H]- 466.01727 205.6
[M]+ 445.04205 223.1
[M]- 445.04315 223.1
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.