CID 63592

77161-22-9

Structural Information

Molecular Formula
C20H19Br2N3O2
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CN4CCOCC4
InChI
InChI=1S/C20H19Br2N3O2/c1-13-4-2-3-5-17(13)25-18(12-24-6-8-27-9-7-24)23-19-15(20(25)26)10-14(21)11-16(19)22/h2-5,10-11H,6-9,12H2,1H3
InChIKey
XPPUDUUGXAPWRL-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(2-methylphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.9844 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.99168 186.6
[M+Na]+ 513.97362 183.8
[M+NH4]+ 509.01822 187.8
[M+K]+ 529.94756 188.5
[M-H]- 489.97712 189.8
[M+Na-2H]- 511.95907 188.0
[M]+ 490.98385 186.2
[M]- 490.98495 186.2
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.