CID 3704221

618443-64-4

Structural Information

Molecular Formula
C17H9Cl3F3N3O2
SMILES
C1=CC(=C(C=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C17H9Cl3F3N3O2/c18-8-3-10-15(13(20)4-8)24-7-26(16(10)28)6-14(27)25-9-1-2-12(19)11(5-9)17(21,22)23/h1-5,7H,6H2,(H,25,27)
InChIKey
IJGCNFHWSHJLJL-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.97125 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.97853 190.6
[M+Na]+ 471.96047 203.2
[M-H]- 447.96397 190.9
[M+NH4]+ 467.00507 199.9
[M+K]+ 487.93441 194.8
[M+H-H2O]+ 431.96851 180.4
[M+HCOO]- 493.96945 192.0
[M+CH3COO]- 507.98510 228.3
[M+Na-2H]- 469.94592 192.3
[M]+ 448.97070 193.5
[M]- 448.97180 193.5
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.