CID 11770728

2-propoxy-3-propyl-4(3h)-quinazolinone

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1OCCC

InChI

InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3

InChIKey

UQWLSCVKSAZQLB-UHFFFAOYSA-N

Compound name

2-propoxy-3-propylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 246.13683 Da
Monoisotopic Mass: 3.1
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]+	247.14411	156.3
[M+Na]+	269.12605	171.1
[M+NH4]+	264.17065	164.0
[M+K]+	285.09999	163.2
[M-H]-	245.12955	158.0
[M+Na-2H]-	267.11150	162.7
[M]+	246.13628	158.9
[M]-	246.13738	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe