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 184.6
[M+Na]+ 537.93722 194.7
[M-H]- 513.94072 193.6
[M+NH4]+ 532.98182 194.0
[M+K]+ 553.91116 180.3
[M+H-H2O]+ 497.94526 189.9
[M+HCOO]- 559.94620 196.9
[M+CH3COO]- 573.96185 195.4
[M+Na-2H]- 535.92267 190.5
[M]+ 514.94745 221.6
[M]- 514.94855 221.6
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.