CID 198909

4-(phenethylamino)quinazoline hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₅N₃

SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)

InChIKey

YKOSADJQCBRMRR-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)quinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 9
Patents: 249.1266 Da
Monoisotopic Mass: 4.4
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]+	250.13388	157.8
[M+Na]+	272.11582	174.0
[M+NH4]+	267.16042	167.2
[M+K]+	288.08976	164.2
[M-H]-	248.11932	163.6
[M+Na-2H]-	270.10127	169.0
[M]+	249.12605	161.9
[M]-	249.12715	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe