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]+ 259.11110 157.1
[M+Na]+ 281.09304 164.5
[M-H]- 257.09654 160.6
[M+NH4]+ 276.13764 173.9
[M+K]+ 297.06698 161.7
[M+H-H2O]+ 241.10108 150.9
[M+HCOO]- 303.10202 174.7
[M+CH3COO]- 317.11767 197.5
[M+Na-2H]- 279.07849 161.3
[M]+ 258.10327 159.6
[M]- 258.10437 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.