CID 3865243

618443-56-4

Structural Information

Molecular Formula
C16H10Cl2FN3O2
SMILES
C1=CC(=CC(=C1)F)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C16H10Cl2FN3O2/c17-9-4-12-15(13(18)5-9)20-8-22(16(12)24)7-14(23)21-11-3-1-2-10(19)6-11/h1-6,8H,7H2,(H,21,23)
InChIKey
APPYTJDKGBVQHU-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0134 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02068 176.4
[M+Na]+ 388.00262 188.4
[M-H]- 364.00612 180.0
[M+NH4]+ 383.04722 188.6
[M+K]+ 403.97656 180.6
[M+H-H2O]+ 348.01066 167.1
[M+HCOO]- 410.01160 187.1
[M+CH3COO]- 424.02725 186.9
[M+Na-2H]- 385.98807 180.5
[M]+ 365.01285 180.6
[M]- 365.01395 180.6
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.