CID 135442581

6-(bromomethyl)-2-methyl-4(1h)-quinazolinone

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CC1=NC2=C(C=C(C=C2)CBr)C(=O)N1
InChI
InChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey
YAHALGNQKDVJLJ-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

251.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 143.7
[M+Na]+ 274.97904 157.5
[M-H]- 250.98254 147.7
[M+NH4]+ 270.02364 162.9
[M+K]+ 290.95298 144.9
[M+H-H2O]+ 234.98708 143.3
[M+HCOO]- 296.98802 161.9
[M+CH3COO]- 311.00367 158.4
[M+Na-2H]- 272.96449 153.0
[M]+ 251.98927 162.6
[M]- 251.99037 162.6
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