CID 10471217

4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ol

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

371
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 180.4
[M-H]- 318.04509 172.0
[M+NH4]+ 337.08619 182.0
[M+K]+ 358.01553 173.5
[M+H-H2O]+ 302.04963 159.4
[M+HCOO]- 364.05057 184.2
[M+CH3COO]- 378.06622 180.0
[M+Na-2H]- 340.02704 175.0
[M]+ 319.05182 171.6
[M]- 319.05292 171.6
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