CID 105433

4-amino-n-hexylbenzenesulfonamide

Structural Information

Molecular Formula
C12H20N2O2S
SMILES
CCCCCCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H20N2O2S/c1-2-3-4-5-10-14-17(15,16)12-8-6-11(13)7-9-12/h6-9,14H,2-5,10,13H2,1H3
InChIKey
BLAWZIRICNQARU-UHFFFAOYSA-N
Compound name
4-amino-N-hexylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.12454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13182 157.6
[M+Na]+ 279.11376 163.7
[M-H]- 255.11726 160.3
[M+NH4]+ 274.15836 174.3
[M+K]+ 295.08770 159.4
[M+H-H2O]+ 239.12180 150.7
[M+HCOO]- 301.12274 176.3
[M+CH3COO]- 315.13839 197.3
[M+Na-2H]- 277.09921 160.9
[M]+ 256.12399 159.4
[M]- 256.12509 159.4
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

patents stripe