CID 206165

6-chloro-2-(3-fluorophenyl)-4-phenylquinazoline

Structural Information

Molecular Formula
C20H12ClFN2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H12ClFN2/c21-15-9-10-18-17(12-15)19(13-5-2-1-3-6-13)24-20(23-18)14-7-4-8-16(22)11-14/h1-12H
InChIKey
LIXWUXAKFYYGIF-UHFFFAOYSA-N
Compound name
6-chloro-2-(3-fluorophenyl)-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0673 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07458 177.3
[M+Na]+ 357.05652 188.4
[M-H]- 333.06002 183.7
[M+NH4]+ 352.10112 189.7
[M+K]+ 373.03046 179.1
[M+H-H2O]+ 317.06456 165.3
[M+HCOO]- 379.06550 191.8
[M+CH3COO]- 393.08115 187.9
[M+Na-2H]- 355.04197 183.2
[M]+ 334.06675 178.0
[M]- 334.06785 178.0
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.