CID 11738697

1-dansylpiperazine

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCNCC3

InChI

InChI=1S/C16H21N3O2S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)22(20,21)19-11-9-17-10-12-19/h3-8,17H,9-12H2,1-2H3

InChIKey

NRTFFCBHBQNURK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 52
Patents: 319.13544 Da
Monoisotopic Mass: 1.9
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]+	320.14272	172.1
[M+Na]+	342.12466	177.7
[M-H]-	318.12816	176.0
[M+NH4]+	337.16926	184.5
[M+K]+	358.09860	173.0
[M+H-H2O]+	302.13270	163.5
[M+HCOO]-	364.13364	182.8
[M+CH3COO]-	378.14929	206.9
[M+Na-2H]-	340.11011	176.0
[M]+	319.13489	170.1
[M]-	319.13599	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe