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

29
Patents

227.98572 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 141.0
[M+Na]+ 250.97494 153.6
[M-H]- 226.97844 142.7
[M+NH4]+ 246.01954 159.3
[M+K]+ 266.94888 148.3
[M+H-H2O]+ 210.98298 134.9
[M+HCOO]- 272.98392 153.1
[M+CH3COO]- 286.99957 154.3
[M+Na-2H]- 248.96039 149.1
[M]+ 227.98517 146.2
[M]- 227.98627 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