CID 63555

Brn 0723653

Structural Information

Molecular Formula
C21H15Br2N3O3
SMILES
COC1=CC=CC=C1OCC2=NC3=CC(=C(C=C3C(=O)N2C4=CC=CC=N4)Br)Br
InChI
InChI=1S/C21H15Br2N3O3/c1-28-17-6-2-3-7-18(17)29-12-20-25-16-11-15(23)14(22)10-13(16)21(27)26(20)19-8-4-5-9-24-19/h2-11H,12H2,1H3
InChIKey
PSDOTKXTXKLBEO-UHFFFAOYSA-N
Compound name
6,7-dibromo-2-[(2-methoxyphenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.95528 189.5
[M+Na]+ 537.93722 187.6
[M+NH4]+ 532.98182 190.5
[M+K]+ 553.91116 191.9
[M-H]- 513.94072 192.0
[M+Na-2H]- 535.92267 192.2
[M]+ 514.94745 189.1
[M]- 514.94855 189.1
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.