CID 3065289

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

Structural Information

Molecular Formula
C22H14BrN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC(=CC=C4)O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H14BrN3O2/c23-15-10-8-14(9-11-15)20-13-25(16-4-3-5-17(27)12-16)22-24-19-7-2-1-6-18(19)21(28)26(20)22/h1-13,27H
InChIKey
WAOPPUKNLHQAJC-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-hydroxyphenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.02695 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03423 196.0
[M+Na]+ 454.01617 210.1
[M-H]- 430.01967 206.1
[M+NH4]+ 449.06077 208.7
[M+K]+ 469.99011 196.2
[M+H-H2O]+ 414.02421 192.7
[M+HCOO]- 476.02515 212.8
[M+CH3COO]- 490.04080 207.8
[M+Na-2H]- 452.00162 201.2
[M]+ 431.02640 216.8
[M]- 431.02750 216.8
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.