CID 214459

Brn 1015311

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃S

SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(C2=CC=CC=C2)O

InChI

InChI=1S/C15H18N2O3S/c1-17(2)21(19,20)12-8-9-14(16)13(10-12)15(18)11-6-4-3-5-7-11/h3-10,15,18H,16H2,1-2H3

InChIKey

CMQMGQUTWAPHIT-UHFFFAOYSA-N

Compound name

4-amino-3-[hydroxy(phenyl)methyl]-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.10382 Da
Monoisotopic Mass: 1.8
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]+	307.111096	168.5
[M+Na]+	329.093038	174.7
[M-H]-	305.096544	174.9
[M+NH4]+	324.137643	182.7
[M+K]+	345.066978	171.2
[M+H-H2O]+	289.101080	160.8
[M+HCOO]-	351.102021	186.0
[M+CH3COO]-	365.117671	207.3
[M+Na-2H]-	327.078486	170.6
[M]+	306.10327142	169.6
[M]-	306.10436858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.