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

10
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

literature stripe

Patent stripe

patents stripe