CID 17608955

3-amino-n-tert-butyl-4-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)N
InChI
InChI=1S/C11H18N2O3S/c1-11(2,3)13-17(14,15)8-5-6-10(16-4)9(12)7-8/h5-7,13H,12H2,1-4H3
InChIKey
INIHWKGRTSZSJQ-UHFFFAOYSA-N
Compound name
3-amino-N-tert-butyl-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111096 157.1
[M+Na]+ 281.093038 164.5
[M-H]- 257.096544 160.6
[M+NH4]+ 276.137643 173.9
[M+K]+ 297.066978 161.7
[M+H-H2O]+ 241.101080 150.9
[M+HCOO]- 303.102021 174.7
[M+CH3COO]- 317.117671 197.5
[M+Na-2H]- 279.078486 161.3
[M]+ 258.10327142 159.6
[M]- 258.10436858 159.6
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

No patent data available for this compound.