CID 201353

M & b 7640

Structural Information

Molecular Formula
C17H30N2O3S
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CN(C)S(=O)(=O)C
InChI
InChI=1S/C17H30N2O3S/c1-4-5-6-7-8-9-12-22-17-11-10-16(18)13-15(17)14-19(2)23(3,20)21/h10-11,13H,4-9,12,14,18H2,1-3H3
InChIKey
VWSSAEGETZYLSG-UHFFFAOYSA-N
Compound name
N-[(5-amino-2-octoxyphenyl)methyl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19772 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20500 183.6
[M+Na]+ 365.18694 191.5
[M+NH4]+ 360.23154 189.2
[M+K]+ 381.16088 184.1
[M-H]- 341.19044 184.8
[M+Na-2H]- 363.17239 186.6
[M]+ 342.19717 185.3
[M]- 342.19827 185.3
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.