CID 6435958

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

Structural Information

Molecular Formula
C30H18BrCl2N3O
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)/C=C/C4=NC5=C(C=C(C=C5)Br)C(=O)N4C6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H18BrCl2N3O/c31-19-7-15-27-25(17-19)30(37)36(22-12-10-21(33)11-13-22)28(34-27)16-14-24-23-3-1-2-4-26(23)35-29(24)18-5-8-20(32)9-6-18/h1-17,35H/b16-14+
InChIKey
YFTXCESYWLTZOK-JQIJEIRASA-N
Compound name
6-bromo-3-(4-chlorophenyl)-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.00104 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.00832 232.7
[M+Na]+ 607.99026 247.4
[M-H]- 583.99376 243.8
[M+NH4]+ 603.03486 240.7
[M+K]+ 623.96420 230.2
[M+H-H2O]+ 567.99830 227.6
[M+HCOO]- 629.99924 238.4
[M+CH3COO]- 644.01489 241.4
[M+Na-2H]- 605.97571 233.0
[M]+ 585.00049 255.1
[M]- 585.00159 255.1
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.