CID 3065278

Imidazo(2,1-b)quinazolin-5(1h)-one, 1-(2-naphthyl)-3-(p-nitrophenyl)-

Structural Information

Molecular Formula
C26H16N4O3
SMILES
C1=CC=C2C=C(C=CC2=C1)N3C=C(N4C3=NC5=CC=CC=C5C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C26H16N4O3/c31-25-22-7-3-4-8-23(22)27-26-28(21-14-9-17-5-1-2-6-19(17)15-21)16-24(29(25)26)18-10-12-20(13-11-18)30(32)33/h1-16H
InChIKey
LQIHMALQRIXKIK-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.12225 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12953 203.3
[M+Na]+ 455.11147 212.8
[M-H]- 431.11497 213.0
[M+NH4]+ 450.15607 211.4
[M+K]+ 471.08541 200.3
[M+H-H2O]+ 415.11951 194.1
[M+HCOO]- 477.12045 223.0
[M+CH3COO]- 491.13610 225.0
[M+Na-2H]- 453.09692 212.0
[M]+ 432.12170 205.3
[M]- 432.12280 205.3
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.