CID 63759

27945-54-6

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
CC1=CC(=CC(=C1O)C)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C
InChI
InChI=1S/C17H15BrN2O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,1-3H3
InChIKey
PBXWMYRTSVLMAI-UHFFFAOYSA-N
Compound name
6-bromo-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.03168 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 173.6
[M+Na]+ 381.02090 181.2
[M+NH4]+ 376.06550 177.8
[M+K]+ 396.99484 179.4
[M-H]- 357.02440 175.9
[M+Na-2H]- 379.00635 177.9
[M]+ 358.03113 174.4
[M]- 358.03223 174.4
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.