CID 2927305

6-bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CN1CC2=C(C=CC(=C2)Br)NC1=O
InChI
InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKey
FZPAKYJRNKYQBY-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

239.98982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 142.7
[M+Na]+ 262.97904 155.0
[M-H]- 238.98254 146.1
[M+NH4]+ 258.02364 162.2
[M+K]+ 278.95298 143.0
[M+H-H2O]+ 222.98708 142.4
[M+HCOO]- 284.98802 158.4
[M+CH3COO]- 299.00367 187.1
[M+Na-2H]- 260.96449 150.5
[M]+ 239.98927 158.5
[M]- 239.99037 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe