CID 63839

Brn 0719841

Structural Information

Molecular Formula
C20H12Br2ClN3O2
SMILES
C1=CC=C(C(=C1)OCC2=NC3=CC(=C(C=C3C(=O)N2C4=CC=CC=N4)Br)Br)Cl
InChI
InChI=1S/C20H12Br2ClN3O2/c21-13-9-12-16(10-14(13)22)25-19(11-28-17-6-2-1-5-15(17)23)26(20(12)27)18-7-3-4-8-24-18/h1-10H,11H2
InChIKey
NXTANNJSDRPFNT-UHFFFAOYSA-N
Compound name
6,7-dibromo-2-[(2-chlorophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.8985 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.90578 182.4
[M+Na]+ 541.88772 194.4
[M-H]- 517.89122 191.5
[M+NH4]+ 536.93232 192.7
[M+K]+ 557.86166 178.3
[M+H-H2O]+ 501.89576 188.4
[M+HCOO]- 563.89670 191.4
[M+CH3COO]- 577.91235 193.6
[M+Na-2H]- 539.87317 188.6
[M]+ 518.89795 220.0
[M]- 518.89905 220.0
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.