CID 3065295

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

Structural Information

Molecular Formula
C22H13BrN4O3
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC=C(C=C4)Br)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H13BrN4O3/c23-15-8-10-16(11-9-15)25-13-20(14-4-3-5-17(12-14)27(29)30)26-21(28)18-6-1-2-7-19(18)24-22(25)26/h1-13H
InChIKey
BJDRFURWURXFBY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(3-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.0171 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.02438 201.8
[M+Na]+ 483.00632 213.3
[M-H]- 459.00982 212.9
[M+NH4]+ 478.05092 212.6
[M+K]+ 498.98026 196.5
[M+H-H2O]+ 443.01436 201.2
[M+HCOO]- 505.01530 220.2
[M+CH3COO]- 519.03095 222.7
[M+Na-2H]- 480.99177 209.5
[M]+ 460.01655 221.8
[M]- 460.01765 221.8
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.