CID 135742362

950577-05-6

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-4H,1H3,(H,11,12,13)
InChIKey
WSJIADZBJSYSIW-UHFFFAOYSA-N
Compound name
6-bromo-7-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

253.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 144.3
[M+Na]+ 276.95831 149.5
[M+NH4]+ 272.00291 148.6
[M+K]+ 292.93225 149.3
[M-H]- 252.96181 144.0
[M+Na-2H]- 274.94376 147.8
[M]+ 253.96854 143.8
[M]- 253.96964 143.8
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

patents stripe