CID 66804

3-amino-n,n-diethyl-4-methoxybenzenesulfonamide

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N
InChI
InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
InChIKey
WBGVVXSCGNGJFL-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

413
Patents

258.10382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111096 156.5
[M+Na]+ 281.093038 163.7
[M-H]- 257.096544 161.2
[M+NH4]+ 276.137643 173.8
[M+K]+ 297.066978 161.8
[M+H-H2O]+ 241.101080 149.6
[M+HCOO]- 303.102021 176.1
[M+CH3COO]- 317.117671 201.0
[M+Na-2H]- 279.078486 159.0
[M]+ 258.10327142 160.9
[M]- 258.10436858 160.9
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