CID 135404718

179688-01-8

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

COC1=C(C=C2C(=C1)C(=O)NC=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)

InChIKey

ZCUFFSHMOAEEIL-UHFFFAOYSA-N

Compound name

6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 662
Patents: 282.10043 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]+	283.10771	163.9
[M+Na]+	305.08965	180.2
[M+NH4]+	300.13425	171.5
[M+K]+	321.06359	172.2
[M-H]-	281.09315	167.4
[M+Na-2H]-	303.07510	172.8
[M]+	282.09988	167.3
[M]-	282.10098	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe