CID 129959041

2,4-dibromo-6-methoxyquinazoline

Structural Information

Molecular Formula
C9H6Br2N2O
SMILES
COC1=CC2=C(C=C1)N=C(N=C2Br)Br
InChI
InChI=1S/C9H6Br2N2O/c1-14-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3
InChIKey
GPXYPMLWNLGZDC-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.8847 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.89198 137.7
[M+Na]+ 338.87392 150.2
[M-H]- 314.87742 143.7
[M+NH4]+ 333.91852 155.6
[M+K]+ 354.84786 135.6
[M+H-H2O]+ 298.88196 145.9
[M+HCOO]- 360.88290 152.7
[M+CH3COO]- 374.89855 152.3
[M+Na-2H]- 336.85937 147.6
[M]+ 315.88415 173.7
[M]- 315.88525 173.7
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

No patent data available for this compound.