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]+ 257.131816 157.6
[M+Na]+ 279.113758 163.7
[M-H]- 255.117264 160.3
[M+NH4]+ 274.158363 174.3
[M+K]+ 295.087698 159.4
[M+H-H2O]+ 239.121800 150.7
[M+HCOO]- 301.122741 176.3
[M+CH3COO]- 315.138391 197.3
[M+Na-2H]- 277.099206 160.9
[M]+ 256.12399142 159.4
[M]- 256.12508858 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