CID 63441

33443-53-7

Structural Information

Molecular Formula
C14H9BrN2O
SMILES
C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H9BrN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey
YFRZROIZOHWZNR-UHFFFAOYSA-N
Compound name
6-bromo-4-phenyl-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

9
Patents

299.98984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.99712 157.2
[M+Na]+ 322.97906 170.2
[M-H]- 298.98256 163.9
[M+NH4]+ 318.02366 173.9
[M+K]+ 338.95300 156.8
[M+H-H2O]+ 282.98710 155.7
[M+HCOO]- 344.98804 175.3
[M+CH3COO]- 359.00369 171.0
[M+Na-2H]- 320.96451 166.6
[M]+ 299.98929 174.8
[M]- 299.99039 174.8
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.