CID 1643

51929-55-6

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₃S

SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3

InChIKey

GHUSPTPILIZGPQ-UHFFFAOYSA-N

Compound name

3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 368.11948 Da
Monoisotopic Mass: 3.8
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]+	369.12676	185.8
[M+Na]+	391.10870	192.0
[M-H]-	367.11220	196.2
[M+NH4]+	386.15330	197.6
[M+K]+	407.08264	187.2
[M+H-H2O]+	351.11674	176.1
[M+HCOO]-	413.11768	205.5
[M+CH3COO]-	427.13333	219.7
[M+Na-2H]-	389.09415	189.6
[M]+	368.11893	188.3
[M]-	368.12003	188.3

Literature stripe

literature stripe

Patent stripe

patents stripe