CID 6435989

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

Structural Information

Molecular Formula
C30H20BrN3O
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=NC5=C(C=C(C=C5)Br)C(=O)N4C6=CC=CC=C6
InChI
InChI=1S/C30H20BrN3O/c31-21-15-17-27-25(19-21)30(35)34(22-11-5-2-6-12-22)28(32-27)18-16-24-23-13-7-8-14-26(23)33-29(24)20-9-3-1-4-10-20/h1-19,33H/b18-16+
InChIKey
MTYSQYAUCSRKET-FBMGVBCBSA-N
Compound name
6-bromo-3-phenyl-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

517.079 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.08628 224.0
[M+Na]+ 540.06822 235.7
[M-H]- 516.07172 235.7
[M+NH4]+ 535.11282 232.4
[M+K]+ 556.04216 219.7
[M+H-H2O]+ 500.07626 218.8
[M+HCOO]- 562.07720 238.8
[M+CH3COO]- 576.09285 233.0
[M+Na-2H]- 538.05367 226.5
[M]+ 517.07845 241.9
[M]- 517.07955 241.9
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.