CID 63928

4(3h)-quinazolinone, 6-bromo-2-((4-methoxyphenyl)methoxy)-3-(2-pyridinyl)-

Structural Information

Molecular Formula
C21H16BrN3O3
SMILES
COC1=CC=C(C=C1)COC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=N4
InChI
InChI=1S/C21H16BrN3O3/c1-27-16-8-5-14(6-9-16)13-28-21-24-18-10-7-15(22)12-17(18)20(26)25(21)19-4-2-3-11-23-19/h2-12H,13H2,1H3
InChIKey
YZHLRJSFZQIXNA-UHFFFAOYSA-N
Compound name
6-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0375 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.04478 193.3
[M+Na]+ 460.02672 201.8
[M+NH4]+ 455.07132 196.9
[M+K]+ 476.00066 198.8
[M-H]- 436.03022 197.1
[M+Na-2H]- 458.01217 200.0
[M]+ 437.03695 194.7
[M]- 437.03805 194.7
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.