CID 135403391

16064-11-2

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: 8
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]+	204.07675	141.6
[M+Na]+	226.05869	154.6
[M+NH4]+	221.10329	148.6
[M+K]+	242.03263	149.0
[M-H]-	202.06219	142.5
[M+Na-2H]-	224.04414	147.8
[M]+	203.06892	143.4
[M]-	203.07002	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe