CID 3077533

Brn 4775065

Structural Information

Molecular Formula
C29H24Br2N4O4
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C29H24Br2N4O4/c30-18-13-22-26(23(31)14-18)32-25(16-34-27(37)20-6-2-3-7-21(20)28(34)38)35(29(22)39)19-8-9-24(36)17(12-19)15-33-10-4-1-5-11-33/h2-3,6-9,12-14,36H,1,4-5,10-11,15-16H2
InChIKey
ILKABVMRDOVYQU-UHFFFAOYSA-N
Compound name
2-[[6,8-dibromo-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.0164 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.02368 220.9
[M+Na]+ 673.00562 228.0
[M-H]- 649.00912 230.3
[M+NH4]+ 668.05022 225.9
[M+K]+ 688.97956 214.0
[M+H-H2O]+ 633.01366 225.5
[M+HCOO]- 695.01460 225.8
[M+CH3COO]- 709.03025 227.6
[M+Na-2H]- 670.99107 218.5
[M]+ 650.01585 252.5
[M]- 650.01695 252.5
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.