CID 4292526

302913-32-2

Structural Information

Molecular Formula
C16H13BrN2O
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C16H13BrN2O/c1-11-2-4-12(5-3-11)9-19-10-18-15-7-6-13(17)8-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKey
SAXBDQJVCHJGFE-UHFFFAOYSA-N
Compound name
6-bromo-3-[(4-methylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.02112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02840 164.5
[M+Na]+ 351.01034 172.2
[M+NH4]+ 346.05494 169.7
[M+K]+ 366.98428 169.6
[M-H]- 327.01384 167.5
[M+Na-2H]- 348.99579 170.7
[M]+ 328.02057 165.5
[M]- 328.02167 165.5
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

patents stripe