CID 6474970

Chembl1981926

Structural Information

Molecular Formula
C26H20N4O3
SMILES
CC1=N/C(=C/C2=CC(=CC=C2)OC)/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H20N4O3/c1-17-27-23(16-18-9-8-12-20(15-18)33-2)26(32)29(17)30-24(19-10-4-3-5-11-19)28-22-14-7-6-13-21(22)25(30)31/h3-16H,1-2H3/b23-16+
InChIKey
ZRSWSDNUBJGSGC-XQNSMLJCSA-N
Compound name
3-[(4E)-4-[(3-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.15353 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16081 210.2
[M+Na]+ 459.14275 220.5
[M-H]- 435.14625 219.5
[M+NH4]+ 454.18735 216.2
[M+K]+ 475.11669 211.7
[M+H-H2O]+ 419.15079 196.5
[M+HCOO]- 481.15173 226.9
[M+CH3COO]- 495.16738 218.6
[M+Na-2H]- 457.12820 209.7
[M]+ 436.15298 212.2
[M]- 436.15408 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.