CID 6435976

4(3h)-quinazolinone, 6-bromo-2-(2-(2-(4-chlorophenyl)-1h-indol-3-yl)ethenyl)-3-4-methylphenyl)-

Structural Information

Molecular Formula
C31H21BrClN3O
SMILES
CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C31H21BrClN3O/c1-19-6-13-23(14-7-19)36-29(34-28-16-10-21(32)18-26(28)31(36)37)17-15-25-24-4-2-3-5-27(24)35-30(25)20-8-11-22(33)12-9-20/h2-18,35H,1H3/b17-15+
InChIKey
KKGTVYDQAVRSLK-BMRADRMJSA-N
Compound name
6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.05566 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.06294 234.6
[M+Na]+ 588.04488 246.4
[M+NH4]+ 583.08948 239.2
[M+K]+ 604.01882 240.7
[M-H]- 564.04838 241.3
[M+Na-2H]- 586.03033 241.0
[M]+ 565.05511 237.9
[M]- 565.05621 237.9
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.