CID 63302

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

Structural Information

Molecular Formula
C22H17BrN2O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Br)C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C22H17BrN2O3/c23-18-8-4-7-17-20(18)24-21(14-5-2-1-3-6-14)25(22(17)28)12-11-15-13-16(26)9-10-19(15)27/h1-10,13,26-27H,11-12H2
InChIKey
LAONLZPGLLHFJB-UHFFFAOYSA-N
Compound name
8-bromo-3-[2-(2,5-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.04224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04952 196.1
[M+Na]+ 459.03146 207.6
[M-H]- 435.03496 204.3
[M+NH4]+ 454.07606 206.5
[M+K]+ 475.00540 193.6
[M+H-H2O]+ 419.03950 192.3
[M+HCOO]- 481.04044 211.0
[M+CH3COO]- 495.05609 206.7
[M+Na-2H]- 457.01691 200.6
[M]+ 436.04169 215.2
[M]- 436.04279 215.2
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.