CID 10661998

162364-72-9

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂O₂

SMILES

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

InChI

InChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3

InChIKey

LBGIYCBNJBHZSZ-UHFFFAOYSA-N

Compound name

4-chloro-6-methoxy-7-phenylmethoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 781
Patents: 300.06656 Da
Monoisotopic Mass: 3.9
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]+	301.07384	166.6
[M+Na]+	323.05578	184.8
[M+NH4]+	318.10038	175.7
[M+K]+	339.02972	175.0
[M-H]-	299.05928	171.4
[M+Na-2H]-	321.04123	176.8
[M]+	300.06601	171.1
[M]-	300.06711	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe