CID 3773327

3-amino-n,n-diethyl-4-(propan-2-yloxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H22N2O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(C)C)N
InChI
InChI=1S/C13H22N2O3S/c1-5-15(6-2)19(16,17)11-7-8-13(12(14)9-11)18-10(3)4/h7-10H,5-6,14H2,1-4H3
InChIKey
ACANRLKAGWEVIJ-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

286.1351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14238 165.3
[M+Na]+ 309.12432 171.3
[M-H]- 285.12782 169.7
[M+NH4]+ 304.16892 181.4
[M+K]+ 325.09826 169.5
[M+H-H2O]+ 269.13236 158.1
[M+HCOO]- 331.13330 183.2
[M+CH3COO]- 345.14895 207.9
[M+Na-2H]- 307.10977 165.8
[M]+ 286.13455 169.9
[M]- 286.13565 169.9
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

No patent data available for this compound.