CID 4344644

20297-19-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCCN1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C11H12N2O2/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15)

InChIKey

CUFPYJFLBNZMOA-UHFFFAOYSA-N

Compound name

3-propyl-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 23
Patents: 204.08987 Da
Monoisotopic Mass: 1.5
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]+	205.09715	142.0
[M+Na]+	227.07909	152.9
[M-H]-	203.08259	143.2
[M+NH4]+	222.12369	159.3
[M+K]+	243.05303	148.3
[M+H-H2O]+	187.08713	134.8
[M+HCOO]-	249.08807	162.4
[M+CH3COO]-	263.10372	183.6
[M+Na-2H]-	225.06454	149.7
[M]+	204.08932	143.2
[M]-	204.09042	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe