CID 6435975

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

Structural Information

Molecular Formula
C30H19BrClN3O
SMILES
C1=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/C30H19BrClN3O/c31-20-12-16-27-25(18-20)30(36)35(22-6-2-1-3-7-22)28(33-27)17-15-24-23-8-4-5-9-26(23)34-29(24)19-10-13-21(32)14-11-19/h1-18,34H/b17-15+
InChIKey
RHLVFWNPNSZUGQ-BMRADRMJSA-N
Compound name
6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.04 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.04728 229.6
[M+Na]+ 574.02922 243.0
[M-H]- 550.03272 241.2
[M+NH4]+ 569.07382 237.9
[M+K]+ 590.00316 226.0
[M+H-H2O]+ 534.03726 224.4
[M+HCOO]- 596.03820 240.0
[M+CH3COO]- 610.05385 238.5
[M+Na-2H]- 572.01467 231.0
[M]+ 551.03945 250.2
[M]- 551.04055 250.2
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.