CID 10471217

184475-71-6

Structural Information

Molecular Formula
C15H11ClFN3O2
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O
InChI
InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)
InChIKey
JLVTVCRXFMLUIF-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

367
Patents

319.05237 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05965 168.9
[M+Na]+ 342.04159 184.9
[M+NH4]+ 337.08619 176.3
[M+K]+ 358.01553 176.8
[M-H]- 318.04509 171.9
[M+Na-2H]- 340.02704 177.0
[M]+ 319.05182 172.3
[M]- 319.05292 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe