CID 135523810

2-amino-6-nitroquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₈H₆N₄O₃

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=N2)N

InChI

InChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13)

InChIKey

AFQWWNVKKIMPGC-UHFFFAOYSA-N

Compound name

2-amino-6-nitro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.04399 Da
Monoisotopic Mass: -0.1
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]+	207.05127	136.7
[M+Na]+	229.03321	150.4
[M+NH4]+	224.07781	143.6
[M+K]+	245.00715	148.1
[M-H]-	205.03671	139.0
[M+Na-2H]-	227.01866	142.5
[M]+	206.04344	138.9
[M]-	206.04454	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe