CID 109403

68479-59-4

Structural Information

Molecular Formula
C16H28N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)CC(C)(C)CN
InChI
InChI=1S/C16H28N2O2S/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(2)11-16(3,4)12-17/h5-8,14,18H,9-12,17H2,1-4H3
InChIKey
XSEOXXHTZJDHFY-UHFFFAOYSA-N
Compound name
N-(6-amino-3,5,5-trimethylhexyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18716 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19444 177.0
[M+Na]+ 335.17638 184.4
[M+NH4]+ 330.22098 182.8
[M+K]+ 351.15032 178.1
[M-H]- 311.17988 177.5
[M+Na-2H]- 333.16183 180.3
[M]+ 312.18661 178.5
[M]- 312.18771 178.5
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.