CID 4247

Dansylcadaverine

Structural Information

Molecular Formula

C₁₇H₂₅N₃O₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCN

InChI

InChI=1S/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3

InChIKey

MLEBFEHOJICQQS-UHFFFAOYSA-N

Compound name

N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 482
References: 3585
Patents: 335.16675 Da
Monoisotopic Mass: 2.5
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]+	336.174026	177.3
[M+Na]+	358.155968	182.5
[M-H]-	334.159474	181.7
[M+NH4]+	353.200573	192.0
[M+K]+	374.129908	178.3
[M+H-H2O]+	318.164010	169.3
[M+HCOO]-	380.164951	195.6
[M+CH3COO]-	394.180601	219.5
[M+Na-2H]-	356.141416	181.3
[M]+	335.16620142	180.7
[M]-	335.16729858	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe