CID 6435933

8-bromo-3-(2-(2,5-dihydroxyphenyl)ethyl)-2-(2-phenylethenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C24H19BrN2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3Br)C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C24H19BrN2O3/c25-20-8-4-7-19-23(20)26-22(12-9-16-5-2-1-3-6-16)27(24(19)30)14-13-17-15-18(28)10-11-21(17)29/h1-12,15,28-29H,13-14H2/b12-9+
InChIKey
JDWSFBNNDTXOMM-FMIVXFBMSA-N
Compound name
8-bromo-3-[2-(2,5-dihydroxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.05792 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06520 203.9
[M+Na]+ 485.04714 214.8
[M-H]- 461.05064 211.7
[M+NH4]+ 480.09174 213.2
[M+K]+ 501.02108 199.9
[M+H-H2O]+ 445.05518 199.7
[M+HCOO]- 507.05612 218.3
[M+CH3COO]- 521.07177 213.7
[M+Na-2H]- 483.03259 207.4
[M]+ 462.05737 222.8
[M]- 462.05847 222.8
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.