CID 66683712

6-bromo-3,4-dihydroquinazolin-2(1h)-one

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1C2=C(C=CC(=C2)Br)NC(=O)N1
InChI
InChI=1S/C8H7BrN2O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-3H,4H2,(H2,10,11,12)
InChIKey
LPMQSNAFKKEZAK-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.97418 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 139.1
[M+Na]+ 248.963398 150.5
[M-H]- 224.966904 141.0
[M+NH4]+ 244.008003 158.1
[M+K]+ 264.937338 137.8
[M+H-H2O]+ 208.971440 139.0
[M+HCOO]- 270.972381 153.7
[M+CH3COO]- 284.988031 152.5
[M+Na-2H]- 246.948846 147.6
[M]+ 225.97363142 152.5
[M]- 225.97472858 152.5
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