CID 3077537

Brn 4774269

Structural Information

Molecular Formula
C29H25BrN4O4
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C29H25BrN4O4/c30-19-8-10-24-23(15-19)29(38)34(20-9-11-25(35)18(14-20)16-32-12-4-1-5-13-32)26(31-24)17-33-27(36)21-6-2-3-7-22(21)28(33)37/h2-3,6-11,14-15,35H,1,4-5,12-13,16-17H2
InChIKey
YWDUHODNSWJPKV-UHFFFAOYSA-N
Compound name
2-[[6-bromo-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

572.1059 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.11318 235.1
[M+Na]+ 595.09512 241.3
[M+NH4]+ 590.13972 237.0
[M+K]+ 611.06906 239.9
[M-H]- 571.09862 238.9
[M+Na-2H]- 593.08057 236.7
[M]+ 572.10535 235.9
[M]- 572.10645 235.9
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.