CID 4657581

379726-48-4

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃S

SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N

InChI

InChI=1S/C15H18N2O3S/c1-3-17(12-7-5-4-6-8-12)21(18,19)13-9-10-15(20-2)14(16)11-13/h4-11H,3,16H2,1-2H3

InChIKey

MOGWGKUFKFLTKM-UHFFFAOYSA-N

Compound name

3-amino-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 306.10382 Da
Monoisotopic Mass: 2.9
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]+	307.111096	168.9
[M+Na]+	329.093038	175.9
[M-H]-	305.096544	176.7
[M+NH4]+	324.137643	183.9
[M+K]+	345.066978	172.6
[M+H-H2O]+	289.101080	160.7
[M+HCOO]-	351.102021	188.9
[M+CH3COO]-	365.117671	208.7
[M+Na-2H]-	327.078486	172.4
[M]+	306.10327142	172.3
[M]-	306.10436858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe