CID 65077

Dansylamide

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)

InChIKey

TYNBFJJKZPTRKS-UHFFFAOYSA-N

Compound name

5-(dimethylamino)naphthalene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 128
References: 2657
Patents: 250.0776 Da
Monoisotopic Mass: 2.0
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]+	251.084876	152.3
[M+Na]+	273.066818	160.8
[M-H]-	249.070324	158.1
[M+NH4]+	268.111423	171.0
[M+K]+	289.040758	157.7
[M+H-H2O]+	233.074860	145.9
[M+HCOO]-	295.075801	171.4
[M+CH3COO]-	309.091451	199.4
[M+Na-2H]-	271.052266	158.0
[M]+	250.07705142	154.8
[M]-	250.07814858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe