CID 3811657

618443-58-6

Structural Information

Molecular Formula
C16H10Cl3N3O2
SMILES
C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl3N3O2/c17-9-1-3-11(4-2-9)21-14(23)7-22-8-20-15-12(16(22)24)5-10(18)6-13(15)19/h1-6,8H,7H2,(H,21,23)
InChIKey
BHYDKHFITAKEBZ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.98386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.991136 178.7
[M+Na]+ 403.973078 190.4
[M-H]- 379.976584 182.3
[M+NH4]+ 399.017683 190.4
[M+K]+ 419.947018 182.8
[M+H-H2O]+ 363.981120 170.9
[M+HCOO]- 425.982061 185.0
[M+CH3COO]- 439.997711 188.6
[M+Na-2H]- 401.958526 182.3
[M]+ 380.98331142 184.1
[M]- 380.98440858 184.1
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.