CID 6474969

Chembl1986811

Structural Information

Molecular Formula
C25H17ClN4O2
SMILES
CC1=N/C(=C/C2=CC(=CC=C2)Cl)/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H17ClN4O2/c1-16-27-22(15-17-8-7-11-19(26)14-17)25(32)29(16)30-23(18-9-3-2-4-10-18)28-21-13-6-5-12-20(21)24(30)31/h2-15H,1H3/b22-15+
InChIKey
RDEGRTHXCFSWJD-PXLXIMEGSA-N
Compound name
3-[(4E)-4-[(3-chlorophenyl)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

440.104 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.11128 210.0
[M+Na]+ 463.09322 221.7
[M-H]- 439.09672 218.9
[M+NH4]+ 458.13782 216.8
[M+K]+ 479.06716 211.2
[M+H-H2O]+ 423.10126 196.3
[M+HCOO]- 485.10220 222.1
[M+CH3COO]- 499.11785 218.4
[M+Na-2H]- 461.07867 209.2
[M]+ 440.10345 212.6
[M]- 440.10455 212.6
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.