CID 3065277

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

Structural Information

Molecular Formula
C22H13N5O5
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H13N5O5/c28-21-18-3-1-2-4-19(18)23-22-24(15-9-11-17(12-10-15)27(31)32)13-20(25(21)22)14-5-7-16(8-6-14)26(29)30/h1-13H
InChIKey
ZWLIXBKPEPYQBD-UHFFFAOYSA-N
Compound name
1,3-bis(4-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.09167 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.09895 198.2
[M+Na]+ 450.08089 204.2
[M-H]- 426.08439 206.9
[M+NH4]+ 445.12549 204.2
[M+K]+ 466.05483 190.0
[M+H-H2O]+ 410.08893 194.1
[M+HCOO]- 472.08987 218.5
[M+CH3COO]- 486.10552 217.4
[M+Na-2H]- 448.06634 208.3
[M]+ 427.09112 197.0
[M]- 427.09222 197.0
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.