CID 6435973

6-bromo-3-(4-methoxyphenyl)-2-(2-(2-phenyl-1h-indol-3-yl)ethenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C31H22BrN3O2
SMILES
COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C31H22BrN3O2/c1-37-23-14-12-22(13-15-23)35-29(33-28-17-11-21(32)19-26(28)31(35)36)18-16-25-24-9-5-6-10-27(24)34-30(25)20-7-3-2-4-8-20/h2-19,34H,1H3/b18-16+
InChIKey
SPWXZVMMNYITPN-FBMGVBCBSA-N
Compound name
6-bromo-3-(4-methoxyphenyl)-2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.08954 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.09682 229.9
[M+Na]+ 570.07876 240.1
[M+NH4]+ 565.12336 233.7
[M+K]+ 586.05270 235.7
[M-H]- 546.08226 236.0
[M+Na-2H]- 568.06421 236.3
[M]+ 547.08899 232.4
[M]- 547.09009 232.4
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.