CID 4528

Nomifensine

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3

InChIKey

XXPANQJNYNUNES-UHFFFAOYSA-N

Compound name

2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1247
References: 10927
Patents: 238.147 Da
Monoisotopic Mass: 2.6
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]+	239.154276	155.3
[M+Na]+	261.136218	162.5
[M-H]-	237.139724	160.8
[M+NH4]+	256.180823	172.2
[M+K]+	277.110158	157.1
[M+H-H2O]+	221.144260	146.9
[M+HCOO]-	283.145201	175.1
[M+CH3COO]-	297.160851	166.8
[M+Na-2H]-	259.121666	160.8
[M]+	238.14645142	151.0
[M]-	238.14754858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe