CID 179000835

3048702-23-1

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C1C2=C(C=C(C=C2)CBr)NC(=O)N1
InChI
InChI=1S/C9H9BrN2O/c10-4-6-1-2-7-5-11-9(13)12-8(7)3-6/h1-3H,4-5H2,(H2,11,12,13)
InChIKey
DGNGVCNRQXGHJE-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 143.6
[M+Na]+ 262.979038 154.5
[M-H]- 238.982544 145.3
[M+NH4]+ 258.023643 162.1
[M+K]+ 278.952978 141.6
[M+H-H2O]+ 222.987080 143.3
[M+HCOO]- 284.988021 157.9
[M+CH3COO]- 299.003671 156.6
[M+Na-2H]- 260.964486 151.6
[M]+ 239.98927142 157.3
[M]- 239.99036858 157.3
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.