CID 589288

Quinazolin-6-amine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC2=NC=NC=C2C=C1N

InChI

InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2

InChIKey

XFGPXURFKAUHQR-UHFFFAOYSA-N

Compound name

quinazolin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 487
Patents: 145.064 Da
Monoisotopic Mass: 0.3
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]+	146.07128	126.7
[M+Na]+	168.05322	141.3
[M+NH4]+	163.09782	136.1
[M+K]+	184.02716	134.2
[M-H]-	144.05672	129.8
[M+Na-2H]-	166.03867	135.5
[M]+	145.06345	129.6
[M]-	145.06455	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe