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]+ 452.056316 201.3
[M+Na]+ 474.038258 210.9
[M-H]- 450.041764 208.6
[M+NH4]+ 469.082863 209.0
[M+K]+ 490.012198 202.9
[M+H-H2O]+ 434.046300 190.5
[M+HCOO]- 496.047241 211.1
[M+CH3COO]- 510.062891 209.9
[M+Na-2H]- 472.023706 203.9
[M]+ 451.04849142 206.6
[M]- 451.04958858 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.