CID 20440075

52603-47-1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂S

SMILES

CCN(CC)C1=CC=CC(=C1)NS(=O)(=O)C

InChI

InChI=1S/C11H18N2O2S/c1-4-13(5-2)11-8-6-7-10(9-11)12-16(3,14)15/h6-9,12H,4-5H2,1-3H3

InChIKey

LSYOTQKXIPGLDP-UHFFFAOYSA-N

Compound name

N-[3-(diethylamino)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 242.1089 Da
Monoisotopic Mass: 1.7
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]+	243.116176	153.3
[M+Na]+	265.098118	159.9
[M-H]-	241.101624	158.3
[M+NH4]+	260.142723	171.4
[M+K]+	281.072058	157.7
[M+H-H2O]+	225.106160	146.4
[M+HCOO]-	287.107101	173.4
[M+CH3COO]-	301.122751	198.3
[M+Na-2H]-	263.083566	157.3
[M]+	242.10835142	157.0
[M]-	242.10944858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe