CID 18932800

4,6-dichloro-7-methoxyquinazoline

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
COC1=C(C=C2C(=C1)N=CN=C2Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c1-14-8-3-7-5(2-6(8)10)9(11)13-4-12-7/h2-4H,1H3
InChIKey
PHWAMXVPMNPOIU-UHFFFAOYSA-N
Compound name
4,6-dichloro-7-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

227.98572 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.992996 141.0
[M+Na]+ 250.974938 153.6
[M-H]- 226.978444 142.7
[M+NH4]+ 246.019543 159.3
[M+K]+ 266.948878 148.3
[M+H-H2O]+ 210.982980 134.9
[M+HCOO]- 272.983921 153.1
[M+CH3COO]- 286.999571 154.3
[M+Na-2H]- 248.960386 149.1
[M]+ 227.98517142 146.2
[M]- 227.98626858 146.2
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

patents stripe