CID 6435977

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

Structural Information

Molecular Formula
C31H21BrClN3O2
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=C(C=C6)Cl
InChI
InChI=1S/C31H21BrClN3O2/c1-38-23-13-11-22(12-14-23)36-29(34-28-16-8-20(32)18-26(28)31(36)37)17-15-25-24-4-2-3-5-27(24)35-30(25)19-6-9-21(33)10-7-19/h2-18,35H,1H3/b17-15+
InChIKey
JCUJOUYQMDAPKX-BMRADRMJSA-N
Compound name
6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.0506 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.05788 236.7
[M+Na]+ 604.03982 250.0
[M-H]- 580.04332 248.5
[M+NH4]+ 599.08442 243.9
[M+K]+ 620.01376 233.8
[M+H-H2O]+ 564.04786 231.2
[M+HCOO]- 626.04880 246.7
[M+CH3COO]- 640.06445 245.3
[M+Na-2H]- 602.02527 237.1
[M]+ 581.05005 259.1
[M]- 581.05115 259.1
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.