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 175.4
[M+Na]+ 335.17638 179.7
[M-H]- 311.17988 177.7
[M+NH4]+ 330.22098 189.7
[M+K]+ 351.15032 175.7
[M+H-H2O]+ 295.18442 168.4
[M+HCOO]- 357.18536 190.2
[M+CH3COO]- 371.20101 210.6
[M+Na-2H]- 333.16183 176.7
[M]+ 312.18661 177.5
[M]- 312.18771 177.5
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.