CID 63437

Brn 0820027

Structural Information

Molecular Formula
C15H10Br2N2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C15H10Br2N2O2/c1-8-18-13-5-3-2-4-10(13)15(21)19(8)9-6-11(16)14(20)12(17)7-9/h2-7,20H,1H3
InChIKey
CMBQUYBOWBBBGA-UHFFFAOYSA-N
Compound name
3-(3,5-dibromo-4-hydroxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.9109 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.91818 160.6
[M+Na]+ 430.90012 172.7
[M-H]- 406.90362 168.0
[M+NH4]+ 425.94472 174.8
[M+K]+ 446.87406 157.1
[M+H-H2O]+ 390.90816 167.7
[M+HCOO]- 452.90910 173.6
[M+CH3COO]- 466.92475 173.4
[M+Na-2H]- 428.88557 167.1
[M]+ 407.91035 195.9
[M]- 407.91145 195.9
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.