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 231.5
[M+Na]+ 570.07876 243.1
[M-H]- 546.08226 243.4
[M+NH4]+ 565.12336 238.8
[M+K]+ 586.05270 227.8
[M+H-H2O]+ 530.08680 225.9
[M+HCOO]- 592.08774 245.9
[M+CH3COO]- 606.10339 240.1
[M+Na-2H]- 568.06421 232.9
[M]+ 547.08899 251.1
[M]- 547.09009 251.1
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.