CID 135426527

Glycosminine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)

InChIKey

ZDUVLDCZFKNYHH-UHFFFAOYSA-N

Compound name

2-benzyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 28
Patents: 236.09496 Da
Monoisotopic Mass: 2.3
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]+	237.10224	152.0
[M+Na]+	259.08418	161.4
[M-H]-	235.08768	155.8
[M+NH4]+	254.12878	167.2
[M+K]+	275.05812	154.9
[M+H-H2O]+	219.09222	143.0
[M+HCOO]-	281.09316	172.0
[M+CH3COO]-	295.10881	163.9
[M+Na-2H]-	257.06963	160.9
[M]+	236.09441	150.7
[M]-	236.09551	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe