CID 135403391

Brn 0187101

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

CC(=O)NC1=CC2=C(C=C1)N=CNC2=O

InChI

InChI=1S/C10H9N3O2/c1-6(14)13-7-2-3-9-8(4-7)10(15)12-5-11-9/h2-5H,1H3,(H,13,14)(H,11,12,15)

InChIKey

LCMHOIYFKXYJDS-UHFFFAOYSA-N

Compound name

N-(4-oxo-3H-quinazolin-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 203.06947 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]+	204.076746	141.1
[M+Na]+	226.058688	150.5
[M-H]-	202.062194	142.2
[M+NH4]+	221.103293	157.8
[M+K]+	242.032628	146.5
[M+H-H2O]+	186.066730	133.7
[M+HCOO]-	248.067671	162.0
[M+CH3COO]-	262.083321	184.6
[M+Na-2H]-	224.044136	149.5
[M]+	203.06892142	140.2
[M]-	203.07001858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe