CID 135624096

Dtxsid50905697

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1)C(=O)N

InChI

InChI=1S/C12H13N3O2/c1-2-7(10(13)16)11-14-9-6-4-3-5-8(9)12(17)15-11/h3-7H,2H2,1H3,(H2,13,16)(H,14,15,17)

InChIKey

YNOVMPQIPZAMBN-UHFFFAOYSA-N

Compound name

2-(4-oxo-3H-quinazolin-2-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 231.10077 Da
Monoisotopic Mass: 0.7
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]+	232.108046	150.8
[M+Na]+	254.089988	158.8
[M-H]-	230.093494	151.1
[M+NH4]+	249.134593	165.8
[M+K]+	270.063928	154.6
[M+H-H2O]+	214.098030	143.1
[M+HCOO]-	276.098971	169.3
[M+CH3COO]-	290.114621	191.6
[M+Na-2H]-	252.075436	155.9
[M]+	231.10022142	149.0
[M]-	231.10131858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe