CID 8893232

3-amino-6-bromoquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

C1=CC2=C(C=C1Br)C(=O)N(C=N2)N

InChI

InChI=1S/C8H6BrN3O/c9-5-1-2-7-6(3-5)8(13)12(10)4-11-7/h1-4H,10H2

InChIKey

KAUIMEGESZUAKR-UHFFFAOYSA-N

Compound name

3-amino-6-bromoquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.96942 Da
Monoisotopic Mass: 0.8
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]+	239.97670	140.2
[M+Na]+	261.95864	145.2
[M+NH4]+	257.00324	144.9
[M+K]+	277.93258	145.0
[M-H]-	237.96214	140.9
[M+Na-2H]-	259.94409	144.3
[M]+	238.96887	139.9
[M]-	238.96997	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe