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 223.7
[M+Na]+ 673.00562 220.2
[M+NH4]+ 668.05022 223.4
[M+K]+ 688.97956 225.0
[M-H]- 649.00912 226.1
[M+Na-2H]- 670.99107 222.6
[M]+ 650.01585 222.8
[M]- 650.01695 222.8
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.