CID 57370365

164015-32-1

Structural Information

Molecular Formula

C₁₈H₁₉NOS

SMILES

CNCC(COC1=CC=CC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C18H19NOS/c1-19-12-15(18-10-5-11-21-18)13-20-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,19H,12-13H2,1H3

InChIKey

LUKQDEKQJQALOW-UHFFFAOYSA-N

Compound name

N-methyl-3-naphthalen-1-yloxy-2-thiophen-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 297.11874 Da
Monoisotopic Mass: 4.2
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]+	298.126016	168.2
[M+Na]+	320.107958	175.8
[M-H]-	296.111464	176.0
[M+NH4]+	315.152563	186.6
[M+K]+	336.081898	170.5
[M+H-H2O]+	280.116000	161.0
[M+HCOO]-	342.116941	188.6
[M+CH3COO]-	356.132591	180.2
[M+Na-2H]-	318.093406	171.6
[M]+	297.11819142	172.7
[M]-	297.11928858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe