CID 4314

61714-25-8

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂S

SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCCCCN

InChI

InChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2

InChIKey

FVJRBJIENDRNBE-UHFFFAOYSA-N

Compound name

N-(6-aminohexyl)naphthalene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 128
References: 115
Patents: 306.1402 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]+	307.14748	169.1
[M+Na]+	329.12942	174.9
[M-H]-	305.13292	172.2
[M+NH4]+	324.17402	184.6
[M+K]+	345.10336	169.3
[M+H-H2O]+	289.13746	161.8
[M+HCOO]-	351.13840	186.5
[M+CH3COO]-	365.15405	206.9
[M+Na-2H]-	327.11487	174.3
[M]+	306.13965	171.3
[M]-	306.14075	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe