CID 826634

Ifn alpha-ifnar-in-1

Structural Information

Molecular Formula

C₁₈H₁₇NS

SMILES

CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3

InChIKey

OHDXDNUPVVYWOV-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65553
Patents: 279.1082 Da
Monoisotopic Mass: 4.6
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]+	280.11548	161.3
[M+Na]+	302.09742	169.2
[M-H]-	278.10092	168.8
[M+NH4]+	297.14202	178.7
[M+K]+	318.07136	162.7
[M+H-H2O]+	262.10546	153.6
[M+HCOO]-	324.10640	180.3
[M+CH3COO]-	338.12205	173.2
[M+Na-2H]-	300.08287	167.0
[M]+	279.10765	163.0
[M]-	279.10875	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe