CID 63453

Brn 0848745

Structural Information

Molecular Formula
C22H16BrN3O2
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=CC4=CC=CC=C4O
InChI
InChI=1S/C22H16BrN3O2/c1-14-25-20-11-6-16(23)12-19(20)22(28)26(14)18-9-7-17(8-10-18)24-13-15-4-2-3-5-21(15)27/h2-13,27H,1H3
InChIKey
WAVXIUSUJAYUKN-UHFFFAOYSA-N
Compound name
6-bromo-3-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0426 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04988 195.0
[M+Na]+ 456.03182 207.1
[M-H]- 432.03532 205.7
[M+NH4]+ 451.07642 206.5
[M+K]+ 472.00576 193.2
[M+H-H2O]+ 416.03986 190.4
[M+HCOO]- 478.04080 213.7
[M+CH3COO]- 492.05645 206.6
[M+Na-2H]- 454.01727 200.9
[M]+ 433.04205 214.8
[M]- 433.04315 214.8
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.