CID 95067

4-amino-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKey
LTFVELCIFWEGGA-UHFFFAOYSA-N
Compound name
4-amino-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

229
Patents

228.09325 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.100526 149.2
[M+Na]+ 251.082468 156.2
[M-H]- 227.085974 153.8
[M+NH4]+ 246.127073 167.6
[M+K]+ 267.056408 153.9
[M+H-H2O]+ 211.090510 142.5
[M+HCOO]- 273.091451 169.0
[M+CH3COO]- 287.107101 194.6
[M+Na-2H]- 249.067916 152.6
[M]+ 228.09270142 151.5
[M]- 228.09379858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe