CID 12320019

2,4-dichloro-5-methoxyquinazoline

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
COC1=CC=CC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3
InChIKey
CVILQLUABMGXTG-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

227.98572 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe