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]+ 315.01278 161.3
[M+Na]+ 336.99472 175.1
[M-H]- 312.99822 169.5
[M+NH4]+ 332.03932 178.5
[M+K]+ 352.96866 162.4
[M+H-H2O]+ 297.00276 159.4
[M+HCOO]- 359.00370 180.4
[M+CH3COO]- 373.01935 175.6
[M+Na-2H]- 334.98017 169.9
[M]+ 314.00495 181.3
[M]- 314.00605 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.