CID 252545

4-amino-n-(4-hydroxycyclohexyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
C1CC(CCC1NS(=O)(=O)C2=CC=C(C=C2)N)O
InChI
InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2
InChIKey
VKVIEHIBAUUKCF-UHFFFAOYSA-N
Compound name
4-amino-N-(4-hydroxycyclohexyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.10382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 157.6
[M+Na]+ 293.09304 162.3
[M-H]- 269.09654 161.7
[M+NH4]+ 288.13764 172.5
[M+K]+ 309.06698 158.0
[M+H-H2O]+ 253.10108 150.8
[M+HCOO]- 315.10202 172.4
[M+CH3COO]- 329.11767 195.3
[M+Na-2H]- 291.07849 160.3
[M]+ 270.10327 152.9
[M]- 270.10437 152.9
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.