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 182.9
[M+Na]+ 365.18694 187.5
[M-H]- 341.19044 186.4
[M+NH4]+ 360.23154 196.8
[M+K]+ 381.16088 184.2
[M+H-H2O]+ 325.19498 174.8
[M+HCOO]- 387.19592 200.6
[M+CH3COO]- 401.21157 218.9
[M+Na-2H]- 363.17239 182.6
[M]+ 342.19717 189.5
[M]- 342.19827 189.5
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.