CID 25350

Memotine

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

COC1=CC=C(C=C1)OCC2=NCCC3=CC=CC=C32

InChI

InChI=1S/C17H17NO2/c1-19-14-6-8-15(9-7-14)20-12-17-16-5-3-2-4-13(16)10-11-18-17/h2-9H,10-12H2,1H3

InChIKey

NOCSCLPQKGWLDB-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1393
Patents: 267.12592 Da
Monoisotopic Mass: 3.3
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]+	268.133196	161.1
[M+Na]+	290.115138	168.5
[M-H]-	266.118644	166.9
[M+NH4]+	285.159743	176.9
[M+K]+	306.089078	164.2
[M+H-H2O]+	250.123180	151.9
[M+HCOO]-	312.124121	181.8
[M+CH3COO]-	326.139771	172.8
[M+Na-2H]-	288.100586	168.2
[M]+	267.12537142	162.4
[M]-	267.12646858	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe