CID 63397

4(3h)-quinazolinone, 3-pentyl-

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CCCCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H16N2O/c1-2-3-6-9-15-10-14-12-8-5-4-7-11(12)13(15)16/h4-5,7-8,10H,2-3,6,9H2,1H3

InChIKey

NWGZMFRPINJEAC-UHFFFAOYSA-N

Compound name

3-pentylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 216.12627 Da
Monoisotopic Mass: 2.5
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]+	217.13355	148.5
[M+Na]+	239.11549	163.6
[M+NH4]+	234.16009	156.9
[M+K]+	255.08943	155.2
[M-H]-	215.11899	150.7
[M+Na-2H]-	237.10094	155.9
[M]+	216.12572	151.3
[M]-	216.12682	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe