CID 3673566

618443-80-4

Structural Information

Molecular Formula
C23H15Cl2N3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C23H15Cl2N3O3/c24-15-10-17-21(18(25)11-15)26-13-28(23(17)31)12-20(29)27-19-9-5-4-8-16(19)22(30)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,27,29)
InChIKey
KHKFVDFEGYPOFP-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.04904 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.05632 201.3
[M+Na]+ 474.03826 210.9
[M-H]- 450.04176 208.6
[M+NH4]+ 469.08286 209.0
[M+K]+ 490.01220 202.9
[M+H-H2O]+ 434.04630 190.5
[M+HCOO]- 496.04724 211.1
[M+CH3COO]- 510.06289 209.9
[M+Na-2H]- 472.02371 203.9
[M]+ 451.04849 206.6
[M]- 451.04959 206.6
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.