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: 18
Patents: 225.97418 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.98146	140.5
[M+Na]+	248.96340	143.9
[M+NH4]+	244.00800	145.1
[M+K]+	264.93734	143.9
[M-H]-	224.96690	139.9
[M+Na-2H]-	246.94885	142.8
[M]+	225.97363	139.5
[M]-	225.97473	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe