CID 64027

4(3h)-quinazolinone, 3-furfuryl-2-methyl-

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C14H12N2O2/c1-10-15-13-7-3-2-6-12(13)14(17)16(10)9-11-5-4-8-18-11/h2-8H,9H2,1H3

InChIKey

BTDIUAJMSNMMKD-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 240.08987 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]+	241.097146	150.8
[M+Na]+	263.079088	163.0
[M-H]-	239.082594	157.7
[M+NH4]+	258.123693	167.6
[M+K]+	279.053028	159.4
[M+H-H2O]+	223.087130	142.6
[M+HCOO]-	285.088071	174.2
[M+CH3COO]-	299.103721	164.9
[M+Na-2H]-	261.064536	158.4
[M]+	240.08932142	155.8
[M]-	240.09041858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe