CID 4658328

5-amino-2-ethoxy-n,n-diethylbenzenesulfonamide

Structural Information

Molecular Formula
C12H20N2O3S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)N)OCC
InChI
InChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)12-9-10(13)7-8-11(12)17-6-3/h7-9H,4-6,13H2,1-3H3
InChIKey
PGMYHXHFBXZAAU-UHFFFAOYSA-N
Compound name
5-amino-2-ethoxy-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.11948 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12676 160.9
[M+Na]+ 295.10870 167.7
[M-H]- 271.11220 165.5
[M+NH4]+ 290.15330 177.7
[M+K]+ 311.08264 165.6
[M+H-H2O]+ 255.11674 153.8
[M+HCOO]- 317.11768 180.2
[M+CH3COO]- 331.13333 204.0
[M+Na-2H]- 293.09415 163.0
[M]+ 272.11893 165.7
[M]- 272.12003 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe