CID 3318480

618444-18-1

Structural Information

Molecular Formula
C22H15Cl2N3O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O3/c23-14-10-18-21(19(24)11-14)25-13-27(22(18)29)12-20(28)26-15-6-8-17(9-7-15)30-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,26,28)
InChIKey
WXKAMHCTKMWSCZ-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.04904 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05632 198.7
[M+Na]+ 462.03826 208.8
[M-H]- 438.04176 206.0
[M+NH4]+ 457.08286 207.0
[M+K]+ 478.01220 200.9
[M+H-H2O]+ 422.04630 187.7
[M+HCOO]- 484.04724 209.5
[M+CH3COO]- 498.06289 207.6
[M+Na-2H]- 460.02371 202.7
[M]+ 439.04849 204.7
[M]- 439.04959 204.7
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.