CID 63729

4546-25-2

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C15H11BrN2O/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
VPVJXWSPNRIXTI-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 161.3
[M+Na]+ 336.994718 175.1
[M-H]- 312.998224 169.5
[M+NH4]+ 332.039323 178.5
[M+K]+ 352.968658 162.4
[M+H-H2O]+ 297.002760 159.4
[M+HCOO]- 359.003701 180.4
[M+CH3COO]- 373.019351 175.6
[M+Na-2H]- 334.980166 169.9
[M]+ 314.00495142 181.3
[M]- 314.00604858 181.3
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.