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]+ 381.99114 178.7
[M+Na]+ 403.97308 190.4
[M-H]- 379.97658 182.3
[M+NH4]+ 399.01768 190.4
[M+K]+ 419.94702 182.8
[M+H-H2O]+ 363.98112 170.9
[M+HCOO]- 425.98206 185.0
[M+CH3COO]- 439.99771 188.6
[M+Na-2H]- 401.95853 182.3
[M]+ 380.98331 184.1
[M]- 380.98441 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.