CID 63120

3214-64-0

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C15H13N3O/c1-10-6-5-9-16-14(10)18-11(2)17-13-8-4-3-7-12(13)15(18)19/h3-9H,1-2H3

InChIKey

LZORTVCIUAAACZ-UHFFFAOYSA-N

Compound name

2-methyl-3-(3-methylpyridin-2-yl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 5
Patents: 251.10587 Da
Monoisotopic Mass: 2.1
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]+	252.11315	157.1
[M+Na]+	274.09509	175.3
[M+NH4]+	269.13969	165.5
[M+K]+	290.06903	166.6
[M-H]-	250.09859	161.4
[M+Na-2H]-	272.08054	167.1
[M]+	251.10532	161.1
[M]-	251.10642	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe