CID 3076467

131338-50-6

Structural Information

Molecular Formula
C24H15Br2N3O4
SMILES
COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C24H15Br2N3O4/c1-33-15-8-6-14(7-9-15)29-20(27-21-18(24(29)32)10-13(25)11-19(21)26)12-28-22(30)16-4-2-3-5-17(16)23(28)31/h2-11H,12H2,1H3
InChIKey
MUNZMVAOLXKXKX-UHFFFAOYSA-N
Compound name
2-[[6,8-dibromo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.94293 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.95021 199.9
[M+Na]+ 589.93215 210.9
[M-H]- 565.93565 210.3
[M+NH4]+ 584.97675 209.9
[M+K]+ 605.90609 196.9
[M+H-H2O]+ 549.94019 205.6
[M+HCOO]- 611.94113 210.9
[M+CH3COO]- 625.95678 210.2
[M+Na-2H]- 587.91760 201.5
[M]+ 566.94238 236.8
[M]- 566.94348 236.8
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.