CID 3065287

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

Structural Information

Molecular Formula
C22H15BrN4O
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC=CC=C4N)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H15BrN4O/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,24H2
InChIKey
NKSBMYNQCYZLJD-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-3-(4-bromophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.0429 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05018 196.3
[M+Na]+ 453.03212 210.2
[M-H]- 429.03562 207.1
[M+NH4]+ 448.07672 209.2
[M+K]+ 469.00606 195.8
[M+H-H2O]+ 413.04016 192.4
[M+HCOO]- 475.04110 214.7
[M+CH3COO]- 489.05675 208.2
[M+Na-2H]- 451.01757 201.7
[M]+ 430.04235 216.1
[M]- 430.04345 216.1
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.